%chk=000193165.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193165

1 1
P -3.152316 1.366029 0.917517
O -4.688352 -1.010462 -1.563271
O -4.461767 0.555014 1.530277
O -3.441454 1.535829 -0.687897
O -5.237719 -2.805521 0.914386
O -3.521732 2.846982 1.491682
O -1.833890 0.803740 1.229132
O 3.601178 -0.933512 0.869137
O 6.599724 1.453160 -0.688058
O 5.973344 -0.125079 0.833552
N -2.455868 -1.389476 -0.989257
N -0.708937 -0.193451 -1.910507
N -1.205753 -2.406588 0.947581
N 1.124241 -1.676605 1.034838
N 2.061749 -0.135701 -0.597156
N 4.155237 1.662236 -1.638402
N 4.017250 2.420723 -2.446085
C -5.124206 -0.429391 0.745536
C -5.355100 -0.014831 -0.727443
C -4.308933 -1.752900 0.694088
C -3.855559 -1.871122 -0.790849
C -4.820522 1.373193 -1.088214
C -1.344324 -1.635944 -0.173838
C -2.008143 -0.494629 -2.020989
C -0.256862 -0.875804 -0.767658
C 0.969538 -0.928000 -0.076704
C 0.029755 -2.384444 1.501965
C 3.339090 -0.113859 -0.111636
C 4.357904 0.766429 -0.668210
C 5.718058 0.645625 -0.086155
C 8.012707 1.461836 -0.192009
C 8.082983 2.182509 1.124157
H -6.081434 -0.576403 1.311975
H -6.425804 -0.120287 -1.031420
H -3.487868 -1.779618 1.445271
H -3.983731 -2.889665 -1.236018
H -4.752888 1.505174 -2.191888
H -5.443652 2.188852 -0.665081
H -4.873012 -3.461027 1.558216
H -2.700447 -0.128567 -2.777940
H -3.126256 3.132237 2.360153
H 0.199426 -2.981718 2.417852
H 1.785888 0.462550 -1.396925
H 8.353731 0.412282 -0.147963
H 8.479580 2.007282 -1.036844
H 4.641787 -0.899518 1.233920
H 9.131548 2.341505 1.430731
H 7.615643 3.177001 1.090359
H 7.606369 1.618233 1.941191


%chk=000193165-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193165

1 1
P -3.084398 1.545275 0.925390
O -4.605023 -0.797720 -1.676909
O -4.222357 0.403067 1.541913
O -3.646728 1.804560 -0.688129
O -5.515121 -2.824949 0.439597
O -3.600680 2.898259 1.827509
O -1.537563 1.218426 1.004972
O 3.767833 -1.064950 1.126039
O 6.579395 1.400996 -0.705853
O 6.081502 -0.158023 0.964228
N -2.376569 -1.292151 -0.948160
N -0.476068 -0.266147 -1.751089
N -1.347049 -2.441474 1.027275
N 1.039739 -1.901152 1.262769
N 2.107948 -0.394049 -0.350128
N 4.049173 1.335383 -1.584659
N 3.823681 2.041188 -2.492269
C -5.063832 -0.489851 0.706111
C -5.397639 0.037657 -0.715393
C -4.408081 -1.873701 0.472920
C -3.800976 -1.764103 -0.956616
C -5.089274 1.520488 -0.941812
C -1.339745 -1.664846 -0.084369
C -1.797464 -0.464575 -1.929000
C -0.186284 -1.002944 -0.602319
C 0.995724 -1.142727 0.146346
C -0.126345 -2.521715 1.641085
C 3.378059 -0.327556 0.093783
C 4.367310 0.551787 -0.547930
C 5.758322 0.574894 -0.031628
C 8.033785 1.516549 -0.244073
C 8.152178 2.541582 0.878330
H -5.965059 -0.628158 1.320489
H -6.460273 -0.157989 -0.944813
H -3.659602 -2.112471 1.247433
H -3.856564 -2.722361 -1.500419
H -5.233175 1.798799 -1.996253
H -5.725449 2.155179 -0.296185
H -5.209093 -3.726242 0.707560
H -2.399868 -0.029532 -2.720800
H -2.874088 3.452205 2.212073
H -0.068967 -3.139403 2.540043
H 1.824092 0.166008 -1.170461
H 8.360291 0.508656 0.061664
H 8.541113 1.828219 -1.168578
H 4.794567 -0.886642 1.326611
H 9.222345 2.665771 1.125411
H 7.762087 3.525772 0.570284
H 7.634393 2.209011 1.793110


