%chk=000101157.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101157

0 1
 O   -3.981200     -0.6014000       1.104600    
 N   -3.692300      0.9242000     -0.5778000    
 C   -1.274600      -1.939200     -0.7218000    
 C  -0.2350000      -2.941100     -0.2130000    
 C   -2.710500      -2.479000     -0.6879000    
 C    1.205200      -2.427000     -0.3145000    
 C   -3.788600      -1.484800      -1.109400    
 C    2.253500      -3.453300      0.1230000    
 C   -3.816000     -0.3087000     -0.2047000    
 C   -3.754400      0.6320000       1.777300    
 C    3.671900      -2.911200     -7.1800001E-02
 C   -3.868400       1.671800      0.6754000    
 C   -2.379400      0.6011000       2.429100    
 C    3.904200      -1.683900      0.7606000    
 C   0.1776000       2.755900      0.1492000    
 C   0.2657000       1.880500      -1.106900    
 C    1.520300       3.232400      0.7140000    
 C   0.8627000       2.606300      -2.313200    
 C    4.270300     -0.4973000      0.2533000    
 C    4.501700      0.7309000       1.084500    
 C    2.402500       2.101600       1.156700    
 C    3.620500       1.863900      0.6471000    
 C   0.8445000       1.726500      -3.553900    
 H   -1.201300      -1.027900     -0.1199000    
 H   -1.029700      -1.653500      -1.752400    
 H  -0.4553000      -3.193800      0.8314000    
 H  -0.3235000      -3.870100     -0.7896000    
 H   -2.925400      -2.846000      0.3237000    
 H   -2.771400      -3.352900      -1.348700    
 H    1.402900      -2.130600      -1.352500    
 H    1.282200      -1.518800      0.2947000    
 H   -3.609400      -1.146300      -2.135700    
 H   -4.774100      -1.962100      -1.084000    
 H    2.090800      -3.724800       1.173300    
 H    2.139800      -4.370500     -0.4670000    
 H   -4.525500      0.7809000       2.540500    
 H    3.849700      -2.710000      -1.135100    
 H    4.392700      -3.679400      0.2314000    
 H   -3.128700       2.473100      0.7683000    
 H   -4.864300       2.129700      0.6742000    
 H   -2.336900     -0.1963000       3.178900    
 H   -2.152000       1.552300       2.919400    
 H   -1.593500      0.3817000       1.700900    
 H    3.767300      -1.785800       1.834500    
 H  -0.4407000       3.635000     -7.1699999E-02
 H  -0.3539000       2.195900      0.9261000    
 H   0.8424000      0.9726000     -0.8951000    
 H  -0.7491000       1.547800      -1.359000    
 H    2.030400       3.871600     -1.5400000E-02
 H    1.323700       3.866500       1.587400    
 H    1.897800       2.899100      -2.108600    
 H   0.2969000       3.523300      -2.513700    
 H    4.421900     -0.4025000     -0.8197000    
 H    4.343200      0.5209000       2.149700    
 H    5.549000       1.039500      0.9865000    
 H    2.017600       1.456200       1.942500    
 H    4.002600       2.503700     -0.1447000    
 H  -0.1788000       1.440300      -3.817300    
 H    1.426600      0.8130000      -3.394600    
 H    1.277400       2.261800      -4.404800    


%chk=000101157-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101157

0 1
O -4.245955 -0.600036 0.731513
N -3.676062 0.722101 -1.102353
C -1.197816 -2.154120 -0.928325
C -0.117641 -3.106800 -0.368932
C -2.628498 -2.716308 -0.779453
C 1.321046 -2.573663 -0.553492
C -3.724360 -1.785115 -1.367561
C 2.396405 -3.528112 0.011253
C -3.860029 -0.482461 -0.631482
C -4.224021 0.806978 1.288764
C 3.851212 -3.012131 -0.176934
C -3.977667 1.683026 0.012407
C -3.124660 0.898574 2.349484
C 4.144590 -1.751745 0.611607
C 0.684967 3.284953 0.750783
C 0.264928 2.154685 -0.220222
C 2.201778 3.639108 0.708411
C 0.378914 2.523293 -1.718417
C 4.583600 -0.578098 0.087660
C 4.860997 0.685817 0.888642
C 3.081234 2.497108 1.174840
C 4.010316 1.856652 0.418941
C -0.172436 1.414355 -2.642042
H -1.125403 -1.173652 -0.415171
H -0.992896 -1.953400 -2.000614
H -0.308384 -3.283578 0.710704
H -0.208529 -4.096416 -0.865424
H -2.850322 -2.905998 0.288447
H -2.692582 -3.692997 -1.299626
H 1.514197 -2.406530 -1.634372
H 1.416863 -1.581836 -0.067102
H -3.505833 -1.548807 -2.423197
H -4.701358 -2.304999 -1.329244
H 2.207076 -3.695975 1.092367
H 2.300977 -4.518643 -0.479394
H -5.222072 0.967860 1.731112
H 4.044055 -2.832256 -1.253410
H 4.549190 -3.814598 0.142863
H -3.124609 2.372145 0.148916
H -4.862226 2.284970 -0.263763
H -3.275989 0.144032 3.140390
H -3.131703 1.900242 2.819061
H -2.130915 0.735019 1.894661
H 3.973197 -1.815596 1.699339
H 0.099345 4.199818 0.523037
H 0.422547 2.992539 1.789211
H 0.877289 1.251398 -0.020866
H -0.788029 1.872153 -0.012263
H 2.491016 3.943065 -0.315602
H 2.367756 4.522444 1.359908
H 1.438198 2.725442 -1.974434
H -0.174530 3.467695 -1.902618
H 4.742478 -0.506630 -1.000438
H 4.681210 0.496018 1.963838
H 5.934819 0.953500 0.782249
H 2.920995 2.159933 2.212753
H 4.162296 2.178762 -0.624036
H -1.240228 1.217662 -2.428908
H 0.382879 0.468176 -2.491628
H -0.080018 1.694774 -3.708035


