%chk=000268444.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268444

0 1
P 0.834845 -1.492141 0.077433
O -0.442782 -1.738554 -0.949630
O 0.150063 -0.574464 1.273285
O 1.465315 -2.727824 0.554886
O -3.590487 -1.028917 -0.278775
O -3.060215 -0.167505 1.632531
N 1.830078 -0.331558 -0.785687
N -2.870443 -0.376363 0.451415
C 3.263905 -0.139104 -0.376490
C 2.917135 -0.812396 -1.693752
C 3.752695 1.295277 -0.339005
C -1.654280 0.319009 -0.210293
C -1.135804 -0.558414 -1.376749
C -0.560193 0.596833 0.844122
C -2.184722 1.651202 -0.796972
C 3.731070 1.848649 1.082296
C -2.658142 2.649308 0.250936
H 3.693584 -0.760506 0.431708
H 2.998812 -0.264165 -2.638830
H 3.123056 -1.878069 -1.843000
H 3.132832 1.934428 -1.002477
H 4.781492 1.335174 -0.753311
H -1.983500 -0.996067 -1.958591
H -0.487593 0.030015 -2.058747
H 0.160427 1.355011 0.473339
H -1.008805 0.945042 1.806128
H -3.014601 1.432241 -1.505093
H -1.384034 2.114027 -1.412683
H 2.728860 1.781424 1.524212
H 4.414592 1.303766 1.745036
H 4.030410 2.903028 1.102258
H -3.345860 2.200755 0.983588
H -1.828313 3.088695 0.816988
H -3.199698 3.481462 -0.219475


%chk=000268444-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268444

0 1
P 0.917454 -1.458831 0.060597
O -0.425017 -1.649300 -1.031122
O 0.236536 -0.427971 1.282759
O 1.507824 -2.818978 0.608162
O -3.647082 -1.004403 -0.283163
O -2.894989 -0.393852 1.775655
N 1.977667 -0.329370 -0.826382
N -2.810302 -0.419302 0.497191
C 3.450186 -0.246188 -0.413817
C 3.068063 -0.923060 -1.712749
C 4.034673 1.153459 -0.348119
C -1.665499 0.401968 -0.193650
C -1.140046 -0.408095 -1.404313
C -0.562432 0.736178 0.832651
C -2.343059 1.703560 -0.730613
C 3.675327 1.873829 0.969942
C -2.973397 2.619457 0.340452
H 3.747040 -0.925961 0.399071
H 3.194675 -0.392363 -2.661634
H 3.147476 -2.016066 -1.762220
H 3.670255 1.737009 -1.214607
H 5.135733 1.074203 -0.449655
H -1.980581 -0.755177 -2.023459
H -0.466166 0.247024 -1.988698
H 0.109021 1.486649 0.371762
H -0.996007 1.124815 1.764293
H -3.114661 1.398628 -1.462446
H -1.570007 2.264606 -1.290846
H 2.579019 1.954497 1.083477
H 4.062502 1.323061 1.846687
H 4.100312 2.892995 0.994384
H -3.738245 2.092542 0.937157
H -2.220178 3.028366 1.036742
H -3.466397 3.475370 -0.152889


