%chk=000203508.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203508

0 1
O 0.378166 1.980804 -0.439300
O 0.238354 1.639201 1.792177
N 2.513436 -0.073122 -0.126121
C -1.489901 -0.381285 -0.318341
C -0.793703 -1.365832 0.643666
C -2.854579 -0.958275 -0.744784
C -1.649193 1.010296 0.352230
C -0.613504 -2.737753 -0.016916
C -2.678161 -2.323342 -1.424182
C -1.948898 -3.313185 -0.505023
C -2.395996 2.024551 -0.533586
C -0.270332 1.544286 0.697836
C -2.730593 3.307432 0.220970
C 1.786471 2.325683 -0.316369
C 2.619116 1.190685 -0.923182
C 3.056416 0.089867 1.264184
C 3.183391 -1.204033 -0.853035
C 2.559919 -1.056973 2.145416
C 2.290379 -1.695658 -1.992906
H -0.848456 -0.254965 -1.226674
H 0.208214 -0.973807 0.945825
H -1.378041 -1.466296 1.576251
H -3.513588 -1.060889 0.137967
H -3.368800 -0.260782 -1.433428
H -2.206529 0.886611 1.316875
H 0.098191 -2.639153 -0.871150
H -0.137238 -3.436840 0.694634
H -3.665902 -2.730518 -1.709082
H -2.112094 -2.201940 -2.367604
H -2.589528 -3.554826 0.364857
H -1.779230 -4.267652 -1.035995
H -1.780616 2.258517 -1.427799
H -3.328457 1.562761 -0.918348
H -3.355740 3.113802 1.100280
H -3.274409 4.010955 -0.419864
H -1.826079 3.820736 0.570662
H 1.864553 3.253748 -0.908583
H 2.033259 2.520702 0.747086
H 3.665878 1.542586 -1.054449
H 2.217325 0.967715 -1.941184
H 4.163104 0.157417 1.295590
H 2.653865 1.047929 1.679657
H 4.187537 -0.930444 -1.242846
H 3.342498 -2.038719 -0.133146
H 1.471935 -1.198786 2.000440
H 3.048668 -2.007367 1.911951
H 2.724913 -0.836985 3.204868
H 2.726781 -2.566934 -2.489245
H 2.122032 -0.921320 -2.749152
H 1.292267 -1.984803 -1.607526


%chk=000203508-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203508

0 1
O 0.309115 1.714035 -0.607841
O 0.177835 1.535903 1.717092
N 2.797075 -0.013466 -0.013304
C -1.773230 -0.444697 -0.471438
C -0.880939 -1.504124 0.231578
C -3.215652 -0.992431 -0.648834
C -1.771842 0.905592 0.320976
C -0.910832 -2.868180 -0.497147
C -3.239707 -2.360067 -1.373032
C -2.353445 -3.400875 -0.652210
C -2.589581 2.032334 -0.377924
C -0.348572 1.390481 0.589411
C -2.574235 3.374520 0.385429
C 1.698141 2.232832 -0.500048
C 2.728789 1.168540 -0.902966
C 3.330538 0.312532 1.342261
C 3.554276 -1.129031 -0.651842
C 2.958774 -0.736903 2.406048
C 2.811432 -1.803224 -1.820759
H -1.344225 -0.243538 -1.476265
H 0.162131 -1.137153 0.295293
H -1.240188 -1.640735 1.274248
H -3.680794 -1.103876 0.354429
H -3.838469 -0.273416 -1.213698
H -2.206690 0.720066 1.324073
H -0.461314 -2.753554 -1.506322
H -0.284884 -3.600486 0.049721
H -4.282705 -2.725495 -1.448199
H -2.871336 -2.228469 -2.412023
H -2.777203 -3.610124 0.352179
H -2.354964 -4.358903 -1.208209
H -2.191928 2.176937 -1.400591
H -3.636628 1.691904 -0.478277
H -2.947390 3.251832 1.419382
H -3.214305 4.120019 -0.120943
H -1.554014 3.795665 0.446669
H 1.743385 3.071260 -1.216632
H 1.852033 2.611244 0.524911
H 3.719444 1.695698 -0.983258
H 2.472646 0.821319 -1.919038
H 4.441839 0.454867 1.309416
H 2.887330 1.270958 1.660353
H 4.563286 -0.780533 -0.996669
H 3.736609 -1.890732 0.126493
H 1.860961 -0.825176 2.469126
H 3.381678 -1.734288 2.187947
H 3.339813 -0.422561 3.395447
H 3.390550 -2.672982 -2.183010
H 2.664255 -1.124816 -2.680211
H 1.820239 -2.154904 -1.488189


