%chk=000279486.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279486

0 1
P 0.535887 1.040562 -0.532670
O 0.179789 2.406212 0.410190
O 0.054505 1.278652 -1.913913
O 0.835962 -1.272815 -1.164041
N -0.452956 -2.740860 0.025690
C -0.411656 -0.264136 0.520822
C -1.855922 0.096426 0.508315
C 2.308433 0.865589 -0.110438
C 0.002185 -1.474164 -0.267040
C -2.436974 0.648611 1.662775
C -2.645631 -0.096118 -0.638738
C 2.793463 1.483489 1.043185
C 3.151701 0.163501 -0.970053
C -3.791315 0.990789 1.671077
C -3.998837 0.248439 -0.621416
C -0.053907 -3.877468 -0.835702
C -1.526946 -2.998359 1.006716
C 4.154744 1.382357 1.350056
C 4.514785 0.067054 -0.657930
C -4.576876 0.787169 0.532554
C 5.011604 0.673962 0.498950
H 0.008665 -0.281027 1.552432
H -1.829736 0.827026 2.548151
H -2.200709 -0.487330 -1.556871
H 2.134236 2.057243 1.703033
H 2.768485 -0.323727 -1.875940
H -0.462069 3.031522 -0.002876
H -4.234586 1.421371 2.567748
H -4.603119 0.103499 -1.516482
H 0.426090 -4.664297 -0.231471
H 0.677586 -3.538295 -1.599322
H -0.921087 -4.304384 -1.364695
H -1.447255 -2.313418 1.869239
H -1.459996 -4.029594 1.391007
H -2.526116 -2.856151 0.554956
H 4.548308 1.858775 2.244867
H 5.184187 -0.479162 -1.319024
H -5.631232 1.054720 0.541130
H 6.071707 0.598438 0.739028


%chk=000279486-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279486

0 1
P 0.488433 1.302615 -0.145485
O 0.245314 2.281242 1.305970
O 0.020826 2.050808 -1.479950
O 0.426622 -1.285553 -1.482400
N -0.390368 -2.668191 0.207651
C -0.574801 -0.186944 0.450171
C -2.051017 0.146933 0.286280
C 2.297339 0.889337 -0.003107
C -0.138799 -1.425382 -0.345754
C -2.840501 0.473589 1.418300
C -2.641264 0.169795 -1.004474
C 2.978418 1.098908 1.219472
C 2.983532 0.411404 -1.144823
C -4.207639 0.795570 1.268425
C -4.007788 0.490754 -1.150714
C 0.054376 -3.875002 -0.513967
C -1.044889 -2.881074 1.510388
C 4.360853 0.814638 1.300846
C 4.366065 0.137769 -1.055172
C -4.796011 0.800503 -0.017534
C 5.053960 0.334121 0.165792
H -0.322268 -0.274846 1.521369
H -2.378550 0.491087 2.413177
H -2.024349 -0.044799 -1.883568
H 2.435814 1.502720 2.080139
H 2.436498 0.251366 -2.078237
H -0.064601 3.194164 1.078870
H -4.809230 1.046629 2.149273
H -4.455502 0.511632 -2.150441
H 0.744470 -4.468385 0.115269
H 0.574007 -3.558674 -1.430638
H -0.813136 -4.505803 -0.785455
H -1.748837 -2.066896 1.738836
H -0.305490 -2.968221 2.331634
H -1.625400 -3.819631 1.470889
H 4.894766 0.976529 2.243766
H 4.903733 -0.229853 -1.935818
H -5.856043 1.051666 -0.136139
H 6.126851 0.119579 0.230457


