%chk=000156318.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156318

0 1
 O    2.455700      -2.454900      0.5293000    
 O    4.007400       3.214600      0.5840000    
 N  -0.2021000      -1.808400      0.2331000    
 C   -1.584000      -1.351400      0.4626000    
 C   -1.848700     -0.1497000     -0.4826000    
 C   -1.693000     -0.9633000       1.943500    
 C   -2.508800      -2.540100      0.1672000    
 C   0.7401000     -0.7582000      0.6030000    
 C   -3.205600      0.5063000     -0.3686000    
 C  -2.8500000E-02  -2.194800      -1.162700    
 C    2.155500      -1.269300      0.4051000    
 C   -4.248900      4.5499999E-02  -1.154700    
 C   -3.379100       1.554700      0.5196000    
 C    3.221500     -0.2873000      4.5499999E-02
 C   -5.501300      0.6506000      -1.049600    
 C   -4.631500       2.159600      0.6248000    
 C   -5.692600       1.707600     -0.1599000    
 C    3.101000       1.008500      0.4922000    
 C    4.282300     -0.7170000     -0.7180000    
 C    4.097000       1.925700      0.1565000    
 C    5.278100      0.2000000      -1.053700    
 C    5.185600       1.521300     -0.6163000    
 H   -1.139200      0.6707000     -0.3424000    
 H   -1.751600     -0.4339000      -1.537500    
 H   -2.745100     -0.8792000       2.242900    
 H   -1.251100      -1.724400       2.598500    
 H   -1.238800      5.4000001E-03   2.177100    
 H   -3.500900      -2.371500      0.6045000    
 H   -2.133300      -3.469800      0.6122000    
 H   -2.683200      -2.710500     -0.8997000    
 H   0.6455000      0.1412000     -7.0000002E-03
 H   0.6995000     -0.4951000       1.664000    
 H   0.8972000      -2.768600      -1.286600    
 H   5.7000000E-02  -1.349800      -1.855300    
 H  -0.7834000      -2.884300      -1.547300    
 H   -4.111800     -0.7749000      -1.853000    
 H   -2.560300       1.918300       1.133400    
 H   -6.327300      0.2990000      -1.660900    
 H   -4.780500       2.983200       1.316900    
 H   -6.667700       2.178900     -7.8199998E-02
 H    2.273400       1.339100       1.112000    
 H    4.363900      -1.740900      -1.069700    
 H    6.125000     -0.1143000      -1.656700    
 H    5.968100       2.226000     -0.8847000    
 H    4.780600       3.708300      0.2605000    


%chk=000156318-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156318

0 1
O 2.478474 -2.511082 -0.146592
O 4.097371 3.344484 -0.058015
N -0.226341 -1.665957 -0.333591
C -1.563160 -1.207719 0.198520
C -2.121323 -0.001099 -0.670519
C -1.404680 -0.788206 1.683743
C -2.553850 -2.397819 0.163366
C 0.849728 -0.673270 -0.297202
C -3.492353 0.530233 -0.287270
C -0.231277 -2.420593 -1.604427
C 2.267809 -1.266623 -0.163284
C -4.672480 0.013310 -0.886728
C -3.634507 1.566721 0.674781
C 3.420630 -0.296602 -0.059001
C -5.949045 0.500603 -0.528152
C -4.908318 2.057989 1.037873
C -6.073601 1.524650 0.439428
C 3.241631 1.108788 -0.114426
C 4.727696 -0.830667 0.114848
C 4.357886 1.964224 0.006149
C 5.832925 0.032637 0.233671
C 5.659444 1.435318 0.180135
H -1.383304 0.823113 -0.608056
H -2.140772 -0.341447 -1.724634
H -2.395352 -0.594326 2.128414
H -0.914965 -1.604169 2.243368
H -0.807581 0.132809 1.817082
H -3.473549 -2.133861 0.711394
H -2.094497 -3.278419 0.646905
H -2.851788 -2.674693 -0.863142
H 0.868259 -0.010741 -1.204120
H 0.708556 0.003278 0.564053
H 0.779643 -2.825406 -1.771159
H -0.517691 -1.804228 -2.493801
H -0.914871 -3.280349 -1.543062
H -4.587637 -0.773775 -1.646448
H -2.737051 1.996542 1.137263
H -6.844240 0.087636 -1.007338
H -4.991776 2.860221 1.780199
H -7.062467 1.906977 0.716355
H 2.259114 1.568034 -0.252757
H 4.841012 -1.918109 0.155074
H 6.838577 -0.379321 0.369324
H 6.524796 2.104565 0.272671
H 4.931020 3.869251 0.032408


