%chk=000185516.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185516

0 1
O 3.884027 -1.731302 0.315448
O -5.337471 -1.284742 0.733792
O 5.774500 0.398620 0.353688
O -6.209799 0.771599 -0.064997
O 0.432187 -4.138840 -0.877948
N -0.126959 -1.008947 0.672035
C 1.207851 -1.363232 0.084110
C 2.167753 -0.191035 0.073994
C -0.647174 0.261427 0.206729
C 0.205696 1.291170 -0.203771
C 1.662215 1.120687 -0.071859
C 0.989533 -1.867587 -1.358804
C -2.073072 0.408641 0.122983
C 3.547983 -0.401926 0.210201
C -2.601150 1.631912 -0.379820
C -0.127737 -1.104822 2.164352
C -0.350451 2.487093 -0.733212
C 2.545747 2.205064 -0.057186
C -1.711664 2.657602 -0.811250
C -2.957970 -0.662716 0.519581
C 4.432384 0.712994 0.212972
C 0.081562 -3.084509 -1.359321
C 3.924013 2.004754 0.082493
C -4.026992 1.846924 -0.473627
C -4.290471 -0.428019 0.417177
C -4.825571 0.824921 -0.073631
C -1.261679 -2.902005 -2.001180
C -6.571282 -0.555114 0.443258
C 5.269249 -2.074646 0.573255
C 6.717364 1.497737 0.363587
H 1.644514 -2.209404 0.689993
H 1.976448 -2.146345 -1.787235
H 0.593936 -1.055473 -1.996869
H -1.098988 -0.774563 2.566636
H 0.662368 -0.507453 2.645968
H 0.007614 -2.163510 2.444648
H 0.322109 3.274340 -1.077149
H 2.166914 3.222162 -0.148726
H -2.130550 3.581186 -1.208842
H -2.551860 -1.612360 0.870471
H 4.585439 2.867505 0.087808
H -4.416800 2.787956 -0.849490
H -1.183177 -2.609901 -3.054135
H -1.858552 -3.823353 -1.952020
H -1.831099 -2.112024 -1.483779
H -7.112950 -0.415936 1.388266
H -7.099179 -1.088707 -0.358254
H 5.894496 -1.756802 -0.268300
H 5.214655 -3.167333 0.648466
H 5.605210 -1.618228 1.509311
H 6.526300 2.157047 1.215071
H 6.684930 2.036936 -0.587488
H 7.671600 0.968556 0.482501


%chk=000185516-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185516

0 1
O 3.958621 -1.697746 0.134124
O -5.404308 -1.239672 0.665843
O 5.851046 0.414568 0.059399
O -6.302571 0.928519 0.182845
O 0.064168 -3.857193 -0.310427
N -0.104993 -0.864246 0.672740
C 1.186652 -1.262523 0.062716
C 2.172079 -0.100130 0.039579
C -0.661716 0.370711 0.254895
C 0.199218 1.423535 -0.166544
C 1.664316 1.226246 -0.098388
C 0.961400 -1.838286 -1.357854
C -2.098931 0.543076 0.225165
C 3.561317 -0.345102 0.118268
C -2.648304 1.838467 -0.135310
C -0.346525 -1.382500 2.038547
C -0.379579 2.667289 -0.578164
C 2.593786 2.296962 -0.127570
C -1.754510 2.884062 -0.537168
C -2.990437 -0.558035 0.500781
C 4.482429 0.743460 0.049113
C 0.140018 -3.131059 -1.338537
C 3.981226 2.062428 -0.056238
C -4.074583 2.048826 -0.145031
C -4.348830 -0.309232 0.475946
C -4.885529 0.977741 0.175751
C -0.576162 -3.498887 -2.630897
C -6.644803 -0.426152 0.688114
C 4.923691 -2.125703 1.169489
C 6.808458 1.511087 -0.106841
H 1.600375 -2.082656 0.673357
H 1.947004 -2.071691 -1.813033
H 0.477622 -1.090274 -2.014384
H -1.270476 -0.950166 2.452371
H 0.486101 -1.112445 2.723608
H -0.440941 -2.483062 2.012583
H 0.275949 3.472435 -0.926151
H 2.241471 3.331131 -0.184858
H -2.171767 3.851820 -0.837121
H -2.597378 -1.560698 0.678202
H 4.668667 2.912746 -0.091980
H -4.489293 3.023605 -0.415371
H 0.074044 -3.333673 -3.509564
H -0.918527 -4.545120 -2.601564
H -1.456937 -2.837811 -2.753336
H -7.004026 -0.340987 1.731141
H -7.384811 -0.882930 0.013191
H 5.899522 -1.636360 1.021842
H 5.008108 -3.215779 1.041903
H 4.533154 -1.894661 2.179468
H 6.750674 2.229932 0.733495
H 6.643615 2.043059 -1.063530
H 7.797207 1.029072 -0.114714


