%chk=000268446.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268446

0 1
P -0.557364 -1.752672 -0.063770
O -1.502677 -1.372243 -1.371801
O -1.329781 -1.006932 1.194253
O -0.365478 -3.189250 0.147738
O -4.563272 -0.191500 -1.093119
O -4.390652 0.034447 1.051420
N -3.953053 0.085163 -0.079555
N 0.867211 -0.755699 -0.327983
N 5.508412 -0.239927 -0.345176
C -2.515619 0.635503 -0.262372
C -1.878504 0.001548 -1.522745
C -1.678395 0.371388 1.007706
C -2.664158 2.159135 -0.502470
C -3.201994 2.929358 0.695714
C 1.936355 -1.014621 0.687935
C 3.172722 -0.237473 0.318281
C 3.161698 1.164930 0.296542
C 4.371124 -0.901323 -0.012956
C 4.326249 1.855006 -0.044921
C 5.480899 1.117624 -0.358681
H -2.620625 -0.063381 -2.357359
H -1.000752 0.588838 -1.859758
H -0.761374 0.994745 1.012338
H -2.274517 0.573344 1.931129
H -3.327600 2.326073 -1.380375
H -1.676641 2.574597 -0.795000
H -4.106319 2.470517 1.123894
H -2.469083 3.010766 1.506950
H -3.476728 3.954156 0.409720
H 1.266565 -0.781190 -1.287463
H 2.184023 -2.100386 0.801490
H 1.569685 -0.671831 1.689069
H 2.246904 1.705145 0.540607
H 4.437705 -1.996767 -0.014582
H 4.344107 2.941969 -0.067152
H 6.419627 1.614545 -0.631146


%chk=000268446-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268446

0 1
P -0.636414 -1.963615 0.013582
O -1.586215 -1.449219 -1.355703
O -1.232390 -0.957580 1.306900
O -0.754775 -3.497131 0.359996
O -4.586262 0.033391 -0.998286
O -4.211429 0.054657 1.245959
N -3.833655 0.193895 0.030014
N 0.912272 -1.250436 -0.369093
N 5.447060 0.105054 -0.371237
C -2.375642 0.703083 -0.240740
C -1.829054 0.003026 -1.508646
C -1.495030 0.466029 1.004681
C -2.510446 2.229183 -0.550587
C -3.108340 3.093553 0.580141
C 2.046170 -1.379186 0.590969
C 3.121397 -0.350285 0.287020
C 2.871147 1.042811 0.373379
C 4.425912 -0.758232 -0.089342
C 3.911398 1.951957 0.090008
C 5.179425 1.439916 -0.278332
H -2.564253 0.066813 -2.324685
H -0.887659 0.512060 -1.794126
H -0.536010 0.997039 0.838008
H -1.986497 0.837041 1.914540
H -3.129381 2.329455 -1.462204
H -1.498368 2.600073 -0.805777
H -4.111988 2.745854 0.880176
H -2.469984 3.106785 1.481124
H -3.207253 4.136057 0.230273
H 1.180972 -1.309761 -1.358744
H 2.484135 -2.397551 0.571580
H 1.634223 -1.222580 1.606091
H 1.876019 1.400916 0.661125
H 4.670992 -1.825249 -0.168565
H 3.754802 3.033399 0.154311
H 6.013819 2.112382 -0.507407


