%chk=000202604.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202604

0 1
P -1.209726 -0.130385 -0.264933
O -1.050098 -0.947100 -1.522247
N -2.031874 -0.977490 1.056802
N -2.208765 1.295038 -0.523623
N 0.270814 0.433240 0.436272
N 2.508127 0.411047 1.069536
N 2.040792 -0.692986 -0.991001
C 1.496271 0.075816 0.146980
C -3.353431 -1.476104 0.574600
C -1.189685 -2.076237 1.607862
C -2.280451 2.185389 0.667880
C -1.787931 2.018306 -1.756069
C 2.159756 1.348355 2.169288
C 3.920627 0.508661 0.624740
C 1.667455 -2.136454 -0.927952
C 1.683843 -0.083734 -2.305731
H -3.889672 -1.944978 1.417352
H -3.310957 -2.213188 -0.246845
H -3.975306 -0.622134 0.241072
H -1.738661 -2.565654 2.432738
H -0.273304 -1.651504 2.059050
H -0.906641 -2.866454 0.892232
H -1.333904 2.683036 0.939740
H -2.626562 1.607314 1.546924
H -3.034580 2.969290 0.482079
H -2.571664 2.752642 -2.015529
H -1.726149 1.311391 -2.608044
H -0.834101 2.565214 -1.679735
H 2.033638 2.385201 1.819548
H 2.939498 1.316741 2.944478
H 1.201148 1.039901 2.632391
H 4.135727 1.452627 0.100240
H 4.169178 -0.324911 -0.060649
H 4.583791 0.426156 1.500681
H 1.777997 -2.515826 0.097580
H 2.367881 -2.692350 -1.572755
H 0.639017 -2.350243 -1.287236
H 1.779376 1.009569 -2.265026
H 0.661158 -0.339910 -2.658561
H 2.400365 -0.462292 -3.052828


%chk=000202604-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202604

0 1
P -1.160879 -0.329121 -0.173220
O -1.139608 -1.490609 -1.296591
N -2.179959 -0.577598 1.238004
N -1.889419 1.107256 -0.866188
N 0.343956 0.073373 0.619921
N 2.621528 -0.216383 1.081273
N 1.983946 -0.210247 -1.187246
C 1.575272 -0.119979 0.151377
C -3.592667 -0.894199 0.961238
C -1.658396 -1.118806 2.500217
C -2.052730 2.333719 -0.080725
C -2.264602 1.152577 -2.280891
C 2.299652 -0.473767 2.492546
C 3.943085 0.388135 0.832329
C 2.947031 -1.237916 -1.627039
C 1.185707 0.387635 -2.270584
H -4.224181 -0.499824 1.781062
H -3.776972 -1.986526 0.869883
H -3.906016 -0.410398 0.019992
H -2.302654 -0.771076 3.331895
H -0.641301 -0.730863 2.657004
H -1.638093 -2.231805 2.523063
H -1.360283 3.137947 -0.412830
H -1.858892 2.121137 0.983938
H -3.090529 2.717565 -0.171437
H -3.325642 1.460019 -2.394130
H -2.142685 0.144345 -2.713001
H -1.640459 1.869431 -2.859984
H 1.974590 0.445778 3.020180
H 3.195735 -0.880950 2.995630
H 1.484133 -1.209028 2.558382
H 4.128988 1.209413 1.554096
H 3.975680 0.806148 -0.185257
H 4.758199 -0.354311 0.938135
H 3.356915 -1.767175 -0.753702
H 3.783518 -0.792525 -2.201788
H 2.432875 -1.977521 -2.272913
H 0.632211 1.261106 -1.888412
H 0.455813 -0.336869 -2.681427
H 1.870130 0.726913 -3.071497


