%chk=000268381.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268381

0 1
O 9.179585 -0.142710 0.393275
O -9.190103 0.114992 -0.402541
O 8.110842 2.282189 0.825162
O -8.121100 -2.309030 -0.838647
N 1.421469 -0.109851 -0.132303
N -1.432119 0.081668 0.123710
N 2.753619 -0.260281 0.100911
N -2.764262 0.232093 -0.109564
C 0.642740 -1.190131 0.570501
C 0.758232 1.230835 0.027801
C -0.768893 -1.259026 -0.036362
C -0.653376 1.161926 -0.579115
C 3.610129 0.721860 0.003031
C -3.620768 -0.750048 -0.011757
C 5.052411 0.422041 0.094876
C -5.063037 -0.450144 -0.103688
C 5.928545 1.480855 0.419226
C -5.938986 -1.508389 -0.430357
C 5.560142 -0.861509 -0.137552
C -5.570884 0.832955 0.130935
C 7.292853 1.226853 0.505722
C -7.303270 -1.254270 -0.516915
C 6.936961 -1.121051 -0.052685
C -6.947683 1.092604 0.046025
C 7.802332 -0.082128 0.267676
C -7.812886 0.054246 -0.276607
C 9.804641 -1.432937 0.195100
C -9.815215 1.404961 -0.202872
H 0.584521 -1.008813 1.666937
H 1.165487 -2.162965 0.423076
H 1.348148 2.001372 -0.514839
H 0.705861 1.541133 1.095165
H -0.716570 -1.569374 -1.103713
H -1.358802 -2.029528 0.506341
H -1.176134 2.134761 -0.431756
H -0.595118 0.980561 -1.675542
H 3.365596 1.782222 -0.144507
H -3.376308 -1.810427 0.135741
H 5.561718 2.487986 0.607862
H -5.572030 -2.515140 -0.620759
H 4.876851 -1.675581 -0.386540
H -4.887707 1.646583 0.381668
H 7.304879 -2.126165 -0.238325
H -7.315713 2.097354 0.233404
H 9.064539 1.992406 0.864004
H -9.074783 -2.019186 -0.877399
H 9.631394 -1.783619 -0.826641
H 9.441974 -2.147640 0.939793
H 10.864035 -1.195854 0.357398
H -9.452164 2.120700 -0.946383
H -9.642457 1.754202 0.819445
H -10.874538 1.168140 -0.366016


%chk=000268381-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268381

0 1
O 9.300761 -0.092885 0.325427
O -9.311351 0.064862 -0.334268
O 8.243532 2.358880 0.538050
O -8.254112 -2.386900 -0.546869
N 1.415464 -0.105956 -0.076609
N -1.426060 0.077951 0.067898
N 2.778427 -0.332670 0.033098
N -2.789023 0.304665 -0.041829
C 0.620483 -1.277076 0.343035
C 0.790613 1.201686 0.233022
C -0.801208 -1.229690 -0.241729
C -0.631078 1.249073 -0.351744
C 3.642920 0.661109 0.147210
C -3.653512 -0.689116 -0.155952
C 5.088946 0.394468 0.180234
C -5.099538 -0.422478 -0.189001
C 5.984151 1.491084 0.338193
C -5.994737 -1.519098 -0.346972
C 5.621665 -0.919135 0.063351
C -5.632263 0.891123 -0.072130
C 7.369686 1.275875 0.380858
C -7.380272 -1.303893 -0.389663
C 7.014613 -1.139309 0.105424
C -7.025210 1.111294 -0.114229
C 7.889715 -0.044283 0.264385
C -7.900307 0.016265 -0.273204
C 9.937733 -1.404999 0.215863
C -9.948327 1.376982 -0.224802
H 0.552658 -1.321232 1.453406
H 1.151994 -2.177405 -0.005003
H 1.378065 2.010999 -0.235134
H 0.769668 1.376298 1.333127
H -0.780266 -1.404307 -1.341834
H -1.388659 -2.039002 0.226431
H -1.162588 2.149401 -0.003705
H -0.563251 1.293230 -1.462115
H 3.347732 1.722951 0.216567
H -3.358320 -1.750958 -0.225306
H 5.612288 2.517434 0.430191
H -5.622869 -2.545446 -0.438962
H 4.928261 -1.755522 -0.061271
H -4.938863 1.727512 0.052502
H 7.405410 -2.157725 0.013401
H -7.416012 2.129708 -0.022215
H 9.173690 2.008575 0.546410
H -9.184271 -2.036597 -0.555250
H 9.706933 -1.876892 -0.758484
H 9.616056 -2.071582 1.038990
H 11.018444 -1.214737 0.291157
H -9.626598 2.043527 -1.047939
H -9.717586 1.848919 0.749538
H -11.029034 1.186719 -0.300151


