%chk=000108020.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108020

0 1
 O   -4.945400      -2.485100     -0.9373000    
 O    5.562000      -1.463500     -0.9475000    
 N    1.408900     -3.4899998E-02  0.4441000    
 C  -0.4931000       1.693900      0.1488000    
 C   -1.136500      0.7097000     -0.9257000    
 C   0.3729000      0.7918000       1.133500    
 C  -5.0000002E-04 -7.3299997E-02  -1.646300    
 C  -0.5817000     -0.2085000       1.873500    
 C   -2.029900     -0.3447000     -0.2332000    
 C   0.3555000       2.808900     -0.5289000    
 C   0.9270000     -0.8243000     -0.6904000    
 C   -1.918000       1.490400      -2.015700    
 C   -1.601700       2.484300      0.9138000    
 C   -1.727800     -0.7815000       1.073500    
 C    1.035000       1.617300       2.273900    
 C    2.710500      0.5634000      0.1728000    
 C   0.9736000       3.698900      0.5152000    
 C   -3.118300     -0.9481000     -0.8930000    
 C   -3.076900       2.234900      -1.403300    
 C   -2.523100      -1.764700       1.690400    
 C    3.756800     -0.4742000     -0.1148000    
 C   -3.898000      -1.926200     -0.2711000    
 C   -3.602600      -2.332900       1.022400    
 C    3.794300      -1.771400      0.4061000    
 C    4.834200     -0.3162000     -0.9273000    
 C    4.922500      -2.344000     -0.1335000    
 H   0.6002000      0.6079000      -2.261000    
 H  -0.4300000     -0.8001000      -2.349700    
 H   -1.041000      0.3031000       2.731700    
 H   5.9000002E-03  -1.035800       2.297300    
 H  -0.2867000       3.442600      -1.152100    
 H    1.117100       2.430700      -1.209500    
 H   0.4093000      -1.708200     -0.2986000    
 H    1.727000      -1.258400      -1.300100    
 H   -2.281800      0.8157000      -2.799600    
 H   -1.272000       2.190200      -2.557200    
 H   -1.293800       2.767800       1.922200    
 H   -1.864600       3.443200      0.4636000    
 H   -2.504400       1.901300       1.105800    
 H   0.3313000       2.206900       2.865400    
 H    1.438100      0.8993000       3.007000    
 H    1.902600       2.226300       2.056900    
 H    3.116300       1.102300       1.031400    
 H    2.675100       1.262100     -0.6660000    
 H   0.4354000       3.872000       1.445000    
 H    2.031300       3.472700      0.6678000    
 H    1.026500       4.705900      7.3200002E-02
 H   -3.370700     -0.6821000      -1.914500    
 H   -3.611700       1.745800     -0.5898000    
 H   -2.838600       3.274900      -1.178500    
 H   -3.838500       2.335400      -2.190700    
 H   -2.297500      -2.092000       2.702900    
 H   -4.203600      -3.092300       1.514100    
 H    3.109400      -2.251300       1.090700    
 H    5.217600      0.4918000      -1.533200    
 H   -5.008500      -2.086100      -1.822000    
 H    5.384700      -3.316000     -4.1499998E-02


%chk=000108020-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108020

0 1
O -5.155232 -2.375453 -0.942933
O 5.640455 -1.598462 -0.959973
N 1.437040 -0.060674 0.391438
C -0.497995 1.689943 0.272537
C -1.177761 0.762199 -0.866701
C 0.405366 0.708868 1.176226
C -0.054330 -0.048378 -1.626637
C -0.543162 -0.350740 1.844127
C -2.094966 -0.294660 -0.210777
C 0.282339 2.848378 -0.449738
C 0.846974 -0.879738 -0.693042
C -1.916964 1.548286 -2.007597
C -1.588018 2.348281 1.172694
C -1.736352 -0.853208 1.046187
C 1.113662 1.390923 2.378252
C 2.720936 0.575296 0.012290
C 1.029843 3.921919 0.379957
C -3.237684 -0.811992 -0.877322
C -3.164216 2.402835 -1.679808
C -2.528317 -1.891578 1.600564
C 3.820731 -0.453608 -0.156261
C -4.011806 -1.846281 -0.308408
C -3.662232 -2.398942 0.942418
C 4.128764 -1.544785 0.753414
C 4.752643 -0.525018 -1.177875
C 5.225815 -2.209685 0.240292
H 0.565113 0.654974 -2.217353
H -0.548576 -0.720747 -2.355998
H -0.931739 0.088170 2.784756
H 0.099829 -1.200750 2.145335
H -0.477816 3.396854 -1.038344
H 0.989028 2.432432 -1.191154
H 0.265184 -1.709700 -0.252763
H 1.670263 -1.343510 -1.265643
H -2.203840 0.792609 -2.766543
H -1.175392 2.181370 -2.529609
H -1.141599 2.830781 2.059113
H -2.132557 3.134897 0.625961
H -2.333213 1.618051 1.529791
H 0.379528 1.855037 3.056876
H 1.651323 0.609902 2.947730
H 1.838164 2.169966 2.106197
H 3.015380 1.271023 0.815359
H 2.666975 1.181827 -0.924086
H 0.446003 4.258113 1.254798
H 2.015438 3.581130 0.738515
H 1.211996 4.810469 -0.253800
H -3.535476 -0.407919 -1.851964
H -3.833912 1.896904 -0.962858
H -2.898577 3.385657 -1.253074
H -3.741749 2.598878 -2.603114
H -2.242614 -2.313781 2.572253
H -4.271913 -3.201057 1.367743
H 3.571958 -1.791903 1.654750
H 4.935680 0.055935 -2.077617
H -5.314215 -1.922460 -1.808043
H 5.809894 -3.071276 0.550459


