%chk=000296487.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296487

0 1
O -3.766401 -1.622242 -0.001647
O -1.550023 -2.214884 -0.000440
O 4.647930 -0.635394 -0.000483
O 2.618342 -1.706092 0.000607
N -2.168167 0.029236 -0.000139
N -3.178708 0.986024 -0.000408
N 2.818973 0.650341 -0.000154
C -0.885106 0.657467 -0.000310
C -1.149699 2.064787 -0.000374
C 0.406488 0.126965 -0.000247
C 1.451823 1.054231 -0.000303
C -0.077168 2.965111 -0.000480
C 1.214667 2.463929 -0.000435
C -2.600442 2.189355 -0.000067
C -2.420611 -1.377008 -0.000906
C 3.259425 -0.683325 0.000008
C -4.120935 -3.038217 -0.001929
C 5.305928 -1.933325 0.000055
H 0.571912 -0.960514 -0.000105
H -0.262903 4.039087 -0.000421
H 2.057288 3.152223 -0.000423
H -3.161382 3.113447 -0.000055
H 3.535554 1.384126 -0.000505
H -3.732284 -3.519349 0.901119
H -3.731791 -3.519059 -0.904914
H -5.217138 -2.987634 -0.002218
H 6.365286 -1.652334 -0.000630
H 5.025998 -2.488423 -0.901327
H 5.026846 -2.487229 0.902430


%chk=000296487-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296487

0 1
O -3.824319 -1.586206 -0.001310
O -1.563472 -2.196762 -0.000988
O 4.705060 -0.599200 0.000146
O 2.654728 -1.761077 -0.000364
N -2.201054 0.056105 -0.000959
N -3.246482 1.022706 -0.000957
N 2.802248 0.610254 0.000060
C -0.923163 0.662379 -0.000631
C -1.173978 2.072726 -0.000496
C 0.370199 0.102672 -0.000463
C 1.445665 1.024522 -0.000141
C -0.077745 2.970516 -0.000170
C 1.219453 2.441706 0.000002
C -2.612199 2.211257 -0.000779
C -2.468137 -1.328441 -0.001192
C 3.297933 -0.685503 -0.000027
C -4.168483 -3.029358 -0.001349
C 5.402241 -1.902169 -0.000005
H 0.537726 -0.974506 -0.000571
H -0.235664 4.053429 -0.000067
H 2.083090 3.117915 0.000245
H -3.207081 3.123978 -0.000779
H 3.517295 1.340782 0.000291
H -3.760905 -3.520020 0.898190
H -3.760960 -3.519945 -0.900956
H -5.266643 -3.044766 -0.001319
H 6.471278 -1.647140 0.000015
H 5.133525 -2.482182 -0.898876
H 5.133544 -2.482372 0.898751


