%chk=000218936.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218936

0 1
O 2.733518 0.853919 -0.301256
O -2.736264 0.834678 0.308578
O 5.873792 2.450117 -0.633928
O -5.883521 2.408738 0.678658
N 5.230995 0.238911 -0.582003
N -5.230585 0.202173 0.578312
C 6.605656 -0.362897 -0.740027
C -6.602238 -0.409284 0.725032
C 6.430729 -1.891698 -0.734221
C 7.204429 0.106948 -2.073320
C 7.483188 0.084604 0.437535
C -6.420282 -1.936772 0.685819
C -7.201284 0.028748 2.068996
C -7.483485 0.059582 -0.441386
C 5.001339 1.598323 -0.544660
C -5.007256 1.563126 0.570036
C 3.544748 2.052983 -0.378959
C -3.553002 2.028015 0.412394
C 1.366232 1.015561 -0.147020
C -1.369742 1.005938 0.157999
C 0.692844 2.233182 -0.059811
C -0.702155 2.228276 0.095725
C 0.688829 -0.225469 -0.083827
C -0.686447 -0.230306 0.069497
H 5.995555 -2.255336 0.203107
H 5.799818 -2.239629 -1.559502
H 7.402549 -2.387835 -0.846560
H 7.305888 1.204755 -2.090606
H 6.580198 -0.172584 -2.927406
H 8.201347 -0.313287 -2.234154
H 7.588057 1.182133 0.451454
H 7.060953 -0.211177 1.402673
H 8.490300 -0.336408 0.368367
H -5.984667 -2.277950 -0.259714
H -5.786697 -2.299619 1.502582
H -7.389661 -2.439726 0.788530
H -7.307789 1.125435 2.110221
H -6.574565 -0.266343 2.915996
H -8.196024 -0.399503 2.221988
H -7.593419 1.156661 -0.431365
H -7.061256 -0.213238 -1.413269
H -8.488551 -0.367487 -0.380043
H 4.441370 -0.405260 -0.500117
H -4.438074 -0.436409 0.481829
H 3.234247 2.655424 -1.252518
H 3.434064 2.637471 0.553009
H -3.244347 2.613466 1.298070
H -3.446102 2.632426 -0.507231
H 1.217043 3.183760 -0.108856
H -1.230870 3.175150 0.164118
H 1.258011 -1.150580 -0.156516
H -1.251217 -1.159407 0.123250


%chk=000218936-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218936

0 1
O 2.800121 0.708991 -0.310246
O -2.800896 0.688204 0.319781
O 5.901472 2.596646 -0.590133
O -5.911440 2.555026 0.635439
N 5.379741 0.299640 -0.611740
N -5.379527 0.260457 0.610125
C 6.754306 -0.271169 -0.767882
C -6.752022 -0.319091 0.752084
C 6.590012 -1.808870 -0.808262
C 7.383773 0.238048 -2.091192
C 7.630735 0.144066 0.443192
C -6.581411 -1.856597 0.762225
C -7.386202 0.161427 2.083817
C -7.627576 0.116530 -0.452441
C 5.074854 1.631358 -0.536334
C -5.080371 1.594777 0.562933
C 3.580243 1.952752 -0.368869
C -3.587087 1.926570 0.404774
C 1.402293 0.813816 -0.151376
C -1.403537 0.803412 0.163885
C 0.699980 2.035537 -0.059155
C -0.707329 2.030338 0.098374
C 0.699804 -0.415892 -0.085508
C -0.694870 -0.421055 0.071569
H 6.133469 -2.186580 0.126104
H 5.961180 -2.121737 -1.663092
H 7.577337 -2.288757 -0.920340
H 7.459705 1.337682 -2.079371
H 6.769952 -0.065991 -2.958463
H 8.396763 -0.186429 -2.214141
H 7.706417 1.242285 0.500735
H 7.195635 -0.231766 1.387080
H 8.646897 -0.276386 0.334467
H -6.120700 -2.213708 -0.178186
H -5.953669 -2.183969 1.612404
H -7.567007 -2.342769 0.861697
H -7.466802 1.260758 2.093217
H -6.772677 -0.156786 2.946189
H -8.397628 -0.269572 2.196619
H -7.708071 1.215340 -0.488041
H -7.188557 -0.238222 -1.402659
H -8.642094 -0.310575 -0.354672
H 4.583119 -0.342937 -0.547747
H -4.580221 -0.377409 0.533789
H 3.261120 2.575505 -1.227776
H 3.453858 2.537746 0.563266
H -3.272105 2.531727 1.277680
H -3.462396 2.532637 -0.514027
H 1.221640 2.995605 -0.107067
H -1.233600 2.986597 0.167129
H 1.260125 -1.352811 -0.158420
H -1.250555 -1.362097 0.124067


