%chk=000196367.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196367

0 1
O 0.418668 0.956381 -1.878495
O 2.530174 0.777049 2.925254
O -1.920188 4.083092 -1.231706
O 0.291041 4.395507 -1.147166
N 2.821138 0.217935 0.728145
N 0.590711 1.878307 0.211730
C 2.479016 0.489853 -0.691726
C 1.502536 2.263418 1.322475
C 2.585895 -0.761462 -1.588718
C 1.068958 1.110207 -0.862117
C 3.359118 -1.129046 1.077878
C 2.307785 1.019373 1.753152
C -0.731842 2.546085 0.162824
C 2.131701 -2.014079 -0.899097
C 2.530515 -2.209882 0.437996
C -1.868619 1.578747 -0.212631
C 2.443330 3.403595 0.947585
C 1.352251 -2.979830 -1.542807
C -2.090397 0.512338 0.866128
C 2.153305 -3.367628 1.122144
C -0.662657 3.738557 -0.805299
C 0.983508 -4.142069 -0.856220
C 1.383360 -4.336794 0.469064
C -3.190385 -0.428969 0.451858
C -4.499381 -0.239872 0.918973
C -2.909287 -1.500573 -0.410334
C -5.515322 -1.117796 0.530013
C -3.928614 -2.373974 -0.796329
C -5.233053 -2.185746 -0.326894
H 3.207884 1.265813 -1.069697
H 0.877622 2.568225 2.209451
H 3.639907 -0.892573 -1.916688
H 2.001687 -0.583812 -2.523634
H 3.388769 -1.224715 2.192449
H 4.414599 -1.187760 0.721283
H -0.948994 2.983844 1.181320
H -2.802433 2.160471 -0.375295
H -1.655709 1.092971 -1.193602
H 3.239749 3.095603 0.259792
H 1.901158 4.220648 0.438882
H 2.927230 3.827332 1.837184
H 1.029617 -2.829410 -2.571826
H -1.151398 -0.056135 1.040812
H -2.328715 0.987123 1.838659
H 2.451845 -3.517078 2.158744
H 0.379076 -4.896586 -1.357790
H 1.090742 -5.242032 0.998588
H -1.913364 4.854564 -1.863456
H -4.727635 0.590058 1.583774
H -1.895421 -1.649042 -0.780555
H -6.529523 -0.967914 0.895992
H -3.706523 -3.203463 -1.465406
H -6.024734 -2.867654 -0.628263


%chk=000196367-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196367

0 1
O 0.639006 1.188715 -2.082651
O 2.225078 0.603562 3.052084
O -1.755802 3.879108 -1.887063
O 0.489047 4.293478 -1.485676
N 2.623143 0.137533 0.793580
N 0.608671 1.936215 0.118957
C 2.529619 0.563819 -0.627884
C 1.355706 2.170768 1.386028
C 2.766347 -0.635314 -1.591373
C 1.173799 1.245057 -0.932274
C 3.196385 -1.203110 1.087332
C 2.107041 0.899864 1.823140
C -0.696918 2.603261 -0.102374
C 2.169219 -1.927932 -1.066887
C 2.420953 -2.242332 0.296466
C -1.855036 1.592739 -0.304795
C 2.301247 3.397104 1.310631
C 1.410797 -2.816334 -1.860104
C -2.046818 0.670534 0.929839
C 1.921203 -3.437401 0.855355
C -0.548176 3.646796 -1.229314
C 0.919721 -4.021097 -1.303381
C 1.176813 -4.333676 0.052070
C -3.114175 -0.385994 0.682285
C -4.478913 -0.124906 0.968203
C -2.767976 -1.643186 0.122051
C -5.474623 -1.091612 0.700761
C -3.760193 -2.612669 -0.147127
C -5.118026 -2.340236 0.140583
H 3.312528 1.326035 -0.836580
H 0.611992 2.344107 2.183075
H 3.859941 -0.760733 -1.720588
H 2.340251 -0.358056 -2.569671
H 3.121736 -1.350559 2.177034
H 4.271928 -1.208145 0.814315
H -0.907801 3.191828 0.814672
H -2.782468 2.158661 -0.500890
H -1.650483 0.987793 -1.203509
H 3.102638 3.247206 0.566235
H 1.739132 4.297718 1.011042
H 2.764068 3.565620 2.298378
H 1.201230 -2.566428 -2.906516
H -1.084749 0.177086 1.165768
H -2.321748 1.288362 1.808967
H 2.104331 -3.666064 1.911778
H 0.335513 -4.710793 -1.922795
H 0.790978 -5.263901 0.483491
H -1.614039 4.572167 -2.587937
H -4.761909 0.839656 1.409058
H -1.716006 -1.865831 -0.099321
H -6.523759 -0.874389 0.932390
H -3.473987 -3.580046 -0.575764
H -5.887756 -3.092842 -0.064699


