%chk=000182682.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182682

0 1
P 1.514342 -0.355494 -0.176242
P -1.286331 0.884523 0.244771
O 0.039936 0.333717 -0.597317
O 1.251256 -1.725788 0.340275
O -1.293813 2.362063 0.397633
N 2.398065 0.688661 0.877171
N 2.337929 -0.158480 -1.712305
N -2.626361 0.277695 -0.694008
N -1.184299 0.028216 1.760086
C 2.022492 0.618714 2.326956
C 2.448394 2.133911 0.476756
C 1.601084 -0.780256 -2.859539
C 3.685025 -0.826015 -1.687932
C -2.426492 -1.035057 -1.387224
C -3.074632 1.245289 -1.750816
C -1.359147 -1.460311 1.731202
C -2.170731 0.543765 2.767912
C 1.448618 1.994877 2.726212
C 1.619667 2.921078 1.509348
C 2.163872 -2.206419 -3.052635
C 3.508144 -2.235702 -2.297469
C -2.077000 -0.720375 -2.857978
C -2.529754 0.731681 -3.102668
C -2.808615 -1.760271 2.172411
C -3.346302 -0.457991 2.798460
H 2.958932 0.403666 2.888800
H 1.313466 -0.205301 2.560054
H 2.097204 2.317151 -0.560262
H 3.518211 2.439046 0.511540
H 1.810944 -0.150408 -3.753042
H 0.491277 -0.767281 -2.723356
H 4.146992 -0.853167 -0.680384
H 4.359527 -0.206192 -2.320865
H -3.390725 -1.587244 -1.323432
H -1.656789 -1.672964 -0.898001
H -2.763606 2.292664 -1.540230
H -4.187089 1.239461 -1.746254
H -0.621682 -1.886772 2.449722
H -1.103719 -1.918527 0.748853
H -2.500505 1.584586 2.566602
H -1.650492 0.564670 3.751977
H 1.973392 2.396473 3.607931
H 0.383135 1.912767 3.005203
H 0.626877 3.201274 1.091054
H 2.113686 3.865126 1.784191
H 2.293694 -2.443555 -4.119647
H 1.473223 -2.963231 -2.640000
H 3.490638 -3.006545 -1.505451
H 4.344697 -2.488326 -2.966729
H -2.564587 -1.423758 -3.548881
H -0.979340 -0.815668 -3.018161
H -1.683857 1.352868 -3.445570
H -3.300263 0.788498 -3.887577
H -2.837270 -2.594907 2.890749
H -3.429777 -2.061939 1.311962
H -4.204710 -0.074071 2.219294
H -3.705836 -0.620128 3.826349


%chk=000182682-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182682

0 1
P 1.559388 -0.410103 0.118290
P -1.462935 0.611670 0.096129
O -0.019757 -0.113530 -0.623453
O 1.521312 -1.728581 1.033954
O -1.183288 2.035735 0.767382
N 2.117995 0.963985 0.976456
N 2.494860 -0.365147 -1.364773
N -2.494093 0.698959 -1.275607
N -2.078000 -0.604219 1.141576
C 2.020324 1.035512 2.470094
C 2.171493 2.331104 0.363314
C 1.984831 -1.049565 -2.590446
C 3.927832 -0.776132 -1.242215
C -3.198740 -0.479544 -1.846991
C -2.384612 1.822121 -2.255398
C -1.743098 -2.060376 1.102581
C -2.784404 -0.211757 2.400508
C 1.671966 2.518902 2.730517
C 2.412562 3.252585 1.583066
C 2.774014 -2.398842 -2.698780
C 3.950919 -2.269850 -1.675714
C -3.962775 0.135824 -3.041166
C -2.989513 1.229561 -3.554436
C -1.977538 -2.502786 2.565450
C -3.122289 -1.576344 3.048618
H 2.993129 0.760882 2.923101
H 1.259454 0.333901 2.853666
H 1.202087 2.575588 -0.112025
H 2.973265 2.385337 -0.392491
H 2.211076 -0.397801 -3.455932
H 0.892948 -1.172858 -2.529703
H 4.299127 -0.608250 -0.217352
H 4.523501 -0.151284 -1.935966
H -3.867264 -0.934049 -1.094884
H -2.483473 -1.255557 -2.195325
H -1.333889 2.139052 -2.390843
H -2.959983 2.694795 -1.893954
H -0.695164 -2.220976 0.796191
H -2.420786 -2.600305 0.408644
H -3.688155 0.387324 2.183269
H -2.124018 0.395059 3.050409
H 1.988404 2.853900 3.733401
H 0.583314 2.666286 2.619420
H 2.023042 4.269044 1.404410
H 3.494069 3.326460 1.804708
H 3.144401 -2.553064 -3.727958
H 2.129852 -3.256866 -2.441496
H 3.764745 -2.909154 -0.795586
H 4.923336 -2.555585 -2.113829
H -4.904108 0.595366 -2.688692
H -4.209338 -0.616824 -3.809601
H -2.193514 0.767687 -4.167271
H -3.491360 1.998032 -4.166599
H -1.058610 -2.323648 3.152452
H -2.232357 -3.573972 2.639476
H -4.094969 -1.945080 2.672941
H -3.184224 -1.502325 4.147963


