%chk=000239114.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239114

0 1
O -2.301348 3.532690 1.636628
O -1.540072 5.304324 0.252747
N -3.935382 -3.736218 0.696521
N 5.348750 -1.252207 0.720073
C 0.033201 0.041594 -1.124395
C -0.381928 1.461194 -0.772571
C -0.973863 -0.982945 -0.638726
C 1.439184 -0.252093 -0.638645
C -1.200803 1.708398 0.360191
C 0.067804 2.509985 -1.580382
C -2.191755 -1.115573 -1.325643
C 2.249962 -1.129591 -1.374598
C -0.736988 -1.803322 0.471624
C 1.955740 0.317211 0.533744
C -1.522650 3.023321 0.603673
C -1.063713 4.087350 -0.226483
C -2.906496 -2.878560 0.194662
C 4.072603 -0.847040 0.216271
C -0.266337 3.859346 -1.324738
C -3.144795 -2.047009 -0.924672
C 3.547304 -1.423826 -0.962952
C -1.681216 -2.741613 0.884369
C 3.251802 0.033201 0.957494
C -2.337067 4.984000 1.438879
C -4.957962 -4.178560 -0.293112
C -3.481499 -4.873664 1.545587
C 6.312910 -1.775464 -0.288671
C 6.013359 -0.300921 1.655172
H 0.047488 -0.029330 -2.250726
H -1.558804 0.897338 0.992481
H 0.707015 2.295253 -2.436687
H -2.401040 -0.477033 -2.184137
H 1.862078 -1.595004 -2.280891
H 0.201101 -1.717030 1.024080
H 1.338979 0.995831 1.125971
H 0.089562 4.663622 -1.960787
H -4.081412 -2.115357 -1.472870
H 4.144732 -2.115210 -1.552425
H -1.464882 -3.357478 1.754287
H 3.618076 0.488895 1.874647
H -1.855092 5.453391 2.306062
H -3.376833 5.270339 1.234323
H -4.552240 -4.799319 -1.106613
H -5.745300 -4.749750 0.224957
H -5.446151 -3.292847 -0.736940
H -4.359980 -5.402842 1.948842
H -2.846767 -5.600483 1.015748
H -2.918962 -4.482699 2.412006
H 5.867425 -2.643238 -0.806468
H 6.614591 -1.033789 -1.044173
H 7.217157 -2.140773 0.224642
H 5.353958 -0.117325 2.521956
H 6.935882 -0.758147 2.048048
H 6.268977 0.667875 1.199017


%chk=000239114-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239114

0 1
O -2.410351 3.542373 1.745205
O -1.654662 5.399625 0.428647
N -3.744256 -3.961827 0.498486
N 5.508969 -1.102884 0.506170
C 0.058681 0.137525 -1.156902
C -0.414803 1.551311 -0.766105
C -0.916801 -0.965383 -0.710444
C 1.506259 -0.137470 -0.713067
C -1.257428 1.766563 0.363054
C 0.026587 2.659739 -1.534927
C -2.102069 -1.206188 -1.450474
C 2.287983 -1.084985 -1.421200
C -0.705272 -1.753620 0.446422
C 2.101985 0.479338 0.413120
C -1.614803 3.083856 0.656967
C -1.171158 4.176579 -0.114425
C -2.823090 -2.980118 0.105987
C 4.201472 -0.788071 0.108383
C -0.341179 3.996100 -1.223321
C -3.037059 -2.184750 -1.065108
C 3.600654 -1.409601 -1.033127
C -1.628263 -2.737325 0.853697
C 3.415148 0.169924 0.821797
C -2.626993 4.986352 1.474476
C -4.956199 -4.190005 -0.294452
C -3.487629 -4.768379 1.695494
C 6.283421 -2.098437 -0.240714
C 6.095596 -0.444263 1.677137
H 0.064488 0.114769 -2.267571
H -1.621604 0.927784 0.961697
H 0.681001 2.479115 -2.395472
H -2.300853 -0.610234 -2.351159
H 1.854453 -1.589849 -2.294432
H 0.208802 -1.608682 1.033513
H 1.535551 1.226944 0.980380
H 0.005269 4.843313 -1.820760
H -3.931561 -2.332660 -1.677081
H 4.158157 -2.145325 -1.620303
H -1.411485 -3.320837 1.753181
H 3.826472 0.681208 1.697110
H -2.428725 5.557880 2.394124
H -3.654738 5.131163 1.087775
H -4.720800 -4.502356 -1.333530
H -5.553840 -4.990000 0.171128
H -5.591215 -3.281451 -0.351105
H -4.312587 -5.484188 1.840186
H -2.545101 -5.348520 1.610022
H -3.416868 -4.142742 2.609544
H 5.787585 -3.091535 -0.243961
H 6.440329 -1.795867 -1.297163
H 7.274233 -2.218163 0.226017
H 5.517932 -0.650491 2.602480
H 7.122226 -0.813529 1.830770
H 6.146442 0.657174 1.550232


