%chk=000030481.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030481

0 1
 O    5.072100      0.1769000     -0.3225000    
 O  -0.1762000       1.261300      0.4530000    
 O   -4.860000       1.652600     -0.3278000    
 O   0.5900000      -1.142700       1.323900    
 N    2.609600       1.556800      4.3499999E-02
 C    2.832100      0.6743000      -1.110200    
 C    3.886100       2.130600      0.4920000    
 C    1.654000       2.611900     -0.2868000    
 C    3.841000     -0.4107000     -0.7449000    
 C    4.870800       1.011500      0.8187000    
 C   0.3028000       2.017600     -0.6512000    
 C   -1.401300      0.6644000      0.3081000    
 C   -1.531700     -0.7170000      0.4036000    
 C  -0.3439000      -3.003000      0.1087000    
 C  -0.3767000      -1.566500      0.6600000    
 C   -2.513000       1.464100      6.3199997E-02
 C    1.069100      -3.510200     -0.1798000    
 C   -2.787300      -1.305500      0.2528000    
 C   -3.768600      0.8756000     -8.7600000E-02
 C   -3.905900     -0.5092000      7.1999999E-03
 C    1.050000      -4.918200     -0.7520000    
 C   -6.113000      0.9854000     -0.4720000    
 H    1.920900      0.1525000      -1.414500    
 H    3.205600       1.249300      -1.967400    
 H    4.310500       2.772400     -0.2910000    
 H    3.734700       2.742700       1.388400    
 H    2.016300       3.243700      -1.107400    
 H    1.519400       3.253500      0.5933000    
 H    4.052900      -1.033600      -1.619900    
 H    3.459900      -1.068800      4.5699999E-02
 H    4.524400      0.4013000       1.661800    
 H    5.840800       1.437300       1.094600    
 H  -0.3736000       2.858800     -0.8455000    
 H   0.3198000       1.412800      -1.563700    
 H  -0.8328000      -3.652100      0.8442000    
 H  -0.9194000      -3.037300     -0.8236000    
 H   -2.424600       2.545500      6.0000001E-03
 H    1.567200      -2.834900     -0.8855000    
 H    1.665400      -3.502000      0.7401000    
 H   -2.928800      -2.379400      0.3374000    
 H   -4.851300      -1.030800     -9.6100003E-02
 H   0.4934000      -4.951600      -1.694000    
 H    2.070600      -5.261200     -0.9485000    
 H   0.5845000      -5.619500     -5.2200001E-02
 H   -6.402700      0.4698000      0.4499000    
 H   -6.115700      0.3173000      -1.339900    
 H   -6.869200       1.754900     -0.6587000    


%chk=000030481-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030481

0 1
O 5.220909 1.462514 -1.510291
O 0.033336 0.780587 0.178335
O -4.603480 1.285946 -1.033688
O 1.048480 -1.747537 0.133664
N 2.634332 2.274838 -0.454467
C 3.808063 3.184956 -0.404951
C 3.090667 0.855662 -0.372523
C 1.598609 2.614898 0.543705
C 4.762285 2.857264 -1.567662
C 4.052191 0.557214 -1.528772
C 0.177637 2.251026 0.106276
C -1.201407 0.216955 -0.113815
C -1.317648 -1.219024 -0.017835
C -0.457476 -3.567336 0.707084
C -0.155739 -2.120635 0.262988
C -2.323427 1.003713 -0.456855
C 0.798891 -4.337288 1.158953
C -2.604957 -1.775200 -0.242179
C -3.578334 0.398055 -0.694851
C -3.733068 -1.005800 -0.580721
C 0.474713 -5.792178 1.558677
C -5.933478 0.725383 -1.297663
H 3.464758 4.233484 -0.501774
H 4.368598 3.089355 0.559854
H 3.621541 0.671850 0.596229
H 2.223821 0.176447 -0.409680
H 1.606788 3.713984 0.686417
H 1.796612 2.154078 1.542355
H 5.676387 3.472996 -1.516793
H 4.239058 3.042811 -2.531448
H 3.518267 0.664023 -2.497546
H 4.467741 -0.459953 -1.443987
H -0.562493 2.721622 0.787430
H 0.004458 2.588526 -0.934048
H -1.212921 -3.553194 1.518561
H -0.929977 -4.109928 -0.139642
H -2.260918 2.089919 -0.548936
H 1.546474 -4.318544 0.345364
H 1.267117 -3.803353 2.007197
H -2.728234 -2.859383 -0.168202
H -4.694659 -1.494460 -0.755634
H 0.042283 -6.354860 0.708990
H 1.385256 -6.326542 1.885692
H -0.254049 -5.829412 2.390951
H -6.335736 0.211487 -0.403804
H -5.908857 0.024061 -2.153420
H -6.564217 1.591572 -1.544135


