%chk=000261710.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261710

0 1
O 4.591257 2.227046 -1.501161
O 5.784187 -0.456052 1.723444
N 3.244998 -0.056113 -0.049768
N -1.483023 0.445617 0.163378
N 0.532964 1.526566 0.422803
N 1.843097 -1.915599 -0.447205
N -0.600294 -1.837683 -0.399851
C 1.974660 -0.574950 -0.112755
C 3.522674 1.298511 0.493352
C 4.432931 -0.922822 -0.266888
C 0.774375 0.182849 0.090112
C -0.481627 -0.509038 -0.072703
C -2.907481 0.267736 0.106949
C 3.471622 2.361691 -0.613414
C 5.006932 -1.457916 1.055395
C -0.793370 1.670350 0.465496
C -3.720546 1.359048 -0.245665
C -3.477882 -0.981646 0.408283
C 0.594803 -2.459274 -0.574566
C -5.689899 -0.041283 0.028548
C -5.106128 1.198105 -0.277091
C -4.862941 -1.126788 0.365704
C -7.171864 -0.218027 -0.009427
H 4.531381 1.291275 0.979928
H 2.795569 1.558844 1.299993
H 5.201465 -0.322623 -0.807149
H 4.160342 -1.779544 -0.932772
H 3.606754 3.375727 -0.189750
H 2.529236 2.324784 -1.188827
H 5.625488 -2.357281 0.889539
H 4.214067 -1.690247 1.794870
H -1.328528 2.578262 0.708243
H -3.284298 2.321668 -0.505937
H -2.843088 -1.836952 0.659542
H 0.564335 -3.529484 -0.843590
H -5.735831 2.044711 -0.548167
H -5.306222 -2.095708 0.595465
H 4.452956 1.466458 -2.099724
H 6.598539 -0.254715 1.220167
H -7.554932 -0.612589 0.942938
H -7.709121 0.718657 -0.207121
H -7.465757 -0.928973 -0.796319


%chk=000261710-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000261710

0 1
O 4.571211 2.083569 -1.759646
O 5.416752 -0.758701 2.088345
N 3.292794 0.026886 -0.002005
N -1.441173 0.483691 0.155152
N 0.547839 1.617750 0.371076
N 1.902158 -1.833909 -0.416119
N -0.549058 -1.790037 -0.344308
C 2.020885 -0.489627 -0.104379
C 3.556280 1.420428 0.434777
C 4.456615 -0.861517 -0.234743
C 0.808027 0.259339 0.081753
C -0.417127 -0.462503 -0.053112
C -2.864076 0.280753 0.105705
C 3.563674 2.422487 -0.736270
C 4.898104 -1.635073 1.023876
C -0.788465 1.706113 0.408386
C -3.717518 1.368397 -0.198584
C -3.419505 -0.995854 0.368231
C 0.663950 -2.390773 -0.520057
C -5.694485 -0.082177 0.060498
C -5.115936 1.183108 -0.209273
C -4.817640 -1.162926 0.340772
C -7.198950 -0.284966 0.034680
H 4.535388 1.420318 0.940748
H 2.792197 1.736618 1.163645
H 5.284647 -0.233654 -0.614263
H 4.177759 -1.600488 -1.005635
H 3.862023 3.415635 -0.360450
H 2.550753 2.500488 -1.175357
H 5.653980 -2.396451 0.733587
H 4.033077 -2.148918 1.468689
H -1.336451 2.613522 0.646257
H -3.302257 2.350309 -0.448783
H -2.756488 -1.841432 0.564217
H 0.640958 -3.456386 -0.768490
H -5.765229 2.034371 -0.444862
H -5.236294 -2.155903 0.544603
H 4.230962 1.322130 -2.293787
H 6.284699 -0.379286 1.797103
H -7.561520 -0.727595 0.981091
H -7.734148 0.667591 -0.119282
H -7.496611 -0.972730 -0.779488


