%chk=000250633.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250633

0 1
P -0.788434 -0.642784 -0.001994
O 6.099099 0.672754 0.038885
O 4.838133 -1.076816 0.038928
N 4.997719 0.138976 0.033925
C -0.002164 0.915815 -0.004512
C 1.403969 1.196908 0.003837
C -0.708721 2.164373 -0.015590
C -1.850018 -0.875108 -1.493617
C 0.395774 -2.045825 0.012849
C -1.869761 -0.860247 1.477633
C 1.578300 2.642413 -0.002248
C 0.255001 3.241179 -0.014373
C 2.538340 0.385180 0.015744
C -2.080212 2.475611 -0.026478
C 2.843337 3.219842 0.003519
C -0.156230 4.571905 -0.023846
C -2.570956 -2.060998 -1.659441
C 0.852027 -2.541570 1.236104
C -2.592801 -2.044509 1.645863
C -1.894687 0.135157 -2.452866
C 0.867738 -2.554329 -1.199154
C -1.927374 0.159776 2.425786
C 3.801028 1.000306 0.021322
C 3.970233 2.393468 0.015432
C -2.466034 3.815008 -0.035823
C -1.523254 4.856448 -0.034613
C -3.355649 -2.232486 -2.802477
C 1.803203 -3.567953 1.242890
C -3.392909 -2.204373 2.779860
C -2.685173 -0.042381 -3.597615
C 1.818844 -3.580661 -1.182909
C -2.733228 -0.006154 3.561533
C -3.413148 -1.221072 -3.770799
C 2.289618 -4.081427 0.035737
C -3.463512 -1.183089 3.736899
H 2.484534 -0.703937 0.020859
H -2.838829 1.701415 -0.027741
H 2.956959 4.301778 -0.001157
H 0.577749 5.374703 -0.022841
H -2.540149 -2.862627 -0.915132
H 0.495398 -2.146336 2.191202
H -2.551792 -2.853776 0.910367
H -1.329012 1.070149 -2.339512
H 0.523487 -2.169116 -2.162847
H -1.360221 1.093643 2.310514
H 4.975438 2.818994 0.020155
H -3.526783 4.064075 -0.044308
H -1.862557 5.887664 -0.042114
H -3.923272 -3.150966 -2.942705
H 2.178676 -3.955595 2.189646
H -3.962402 -3.121432 2.921792
H -2.728868 0.744648 -4.350363
H 2.206462 -3.978205 -2.120619
H -2.787027 0.788506 4.305559
H -4.027885 -1.357130 -4.661137
H 3.046967 -4.867003 0.044730
H -4.090273 -1.310090 4.620162


%chk=000250633-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250633

0 1
P -0.833823 -0.663084 -0.001947
O 6.188392 0.725590 0.036938
O 4.861283 -1.128079 0.036846
N 5.020687 0.161807 0.031832
C -0.023467 0.927336 -0.004721
C 1.406799 1.217588 0.003117
C -0.730802 2.200837 -0.015859
C -1.892538 -0.903243 -1.541699
C 0.366541 -2.086175 0.013555
C -1.913421 -0.888132 1.525542
C 1.569639 2.666275 -0.002981
C 0.254282 3.268996 -0.014571
C 2.561059 0.399545 0.014570
C -2.117535 2.534517 -0.026679
C 2.861369 3.250423 0.002584
C -0.154826 4.625908 -0.023667
C -2.604680 -2.106449 -1.772003
C 0.836713 -2.592746 1.249027
C -2.629381 -2.088748 1.757516
C -1.919262 0.133431 -2.504631
C 0.853135 -2.606196 -1.209911
C -1.952800 0.157642 2.478115
C 3.827033 1.022733 0.019839
C 4.003471 2.436530 0.014080
C -2.499714 3.889235 -0.035479
C -1.527841 4.935096 -0.033975
C -3.355302 -2.262237 -2.957826
C 1.807519 -3.618419 1.256175
C -3.396531 -2.232745 2.934218
C -2.675878 -0.027388 -3.687580
C 1.823902 -3.631783 -1.192807
C -2.725814 0.008574 3.651959
C -3.397491 -1.220914 -3.914548
C 2.304921 -4.134684 0.037736
C -3.451371 -1.182302 3.880264
H 2.526311 -0.689520 0.019519
H -2.888485 1.754186 -0.028243
H 2.970259 4.340624 -0.002098
H 0.592010 5.428570 -0.022648
H -2.560345 -2.934225 -1.057687
H 0.465082 -2.183469 2.194335
H -2.575639 -2.923421 1.051897
H -1.343464 1.048968 -2.335444
H 0.494265 -2.207404 -2.164576
H -1.374101 1.071195 2.308254
H 5.015404 2.846768 0.018713
H -3.565147 4.148006 -0.043673
H -1.857727 5.979754 -0.040983
H -3.898917 -3.196175 -3.136273
H 2.186804 -3.998504 2.210217
H -3.943182 -3.164655 3.114003
H -2.696433 0.778909 -4.428119
H 2.215925 -4.022240 -2.137463
H -2.756050 0.821937 4.384398
H -3.981283 -1.344112 -4.833287
H 3.073153 -4.914858 0.047133
H -4.048013 -1.296374 4.791898


