%chk=000202745.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202745

0 1
O 1.158323 -0.597231 -1.433312
O -1.655593 1.020999 1.736571
O -0.244465 2.313406 0.527703
N -4.152776 0.893881 -1.001858
C 1.394837 -0.297096 1.502133
C 0.447256 -1.261333 0.830135
C 2.356362 0.319728 0.516086
C 0.608233 0.797535 2.265053
C 0.365346 -1.345349 -0.568427
C 2.180476 0.166120 -0.866671
C -0.400460 -2.091480 1.578776
C 3.453973 1.081090 0.946282
C -0.405036 1.480744 1.385403
C -0.530417 -2.200934 -1.229158
C 3.030725 0.753346 -1.816229
C -1.297596 -2.953504 0.944620
C 4.318139 1.671692 0.022767
C -1.364486 -3.004242 -0.454715
C 4.101593 1.514958 -1.354073
C -2.799834 1.461926 0.943884
C -2.830766 0.635068 -0.348588
C -4.614234 -0.306841 -1.759974
C -4.074652 2.080119 -1.906151
H 1.994740 -0.867083 2.264247
H 1.306080 1.564410 2.662628
H 0.099619 0.346688 3.144766
H -0.365326 -2.055130 2.667810
H 3.631548 1.215542 2.012883
H -0.552961 -2.224834 -2.316304
H 2.839408 0.610668 -2.877440
H -1.951089 -3.587813 1.540265
H 5.162215 2.263010 0.371774
H -2.069147 -3.678914 -0.940684
H 4.775532 1.989324 -2.067316
H -3.645024 1.235915 1.618199
H -2.721107 2.545902 0.761427
H -1.953517 0.888173 -0.984043
H -2.719102 -0.442294 -0.091697
H -3.942090 -0.632040 -2.567203
H -5.602591 -0.093950 -2.198450
H -4.747565 -1.144088 -1.056122
H -3.404327 1.960887 -2.770210
H -3.733485 2.955251 -1.329972
H -5.085460 2.309575 -2.278917


%chk=000202745-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202745

0 1
O 0.798156 -0.606728 -1.300027
O -1.745473 0.836431 1.730135
O -0.266282 2.386241 0.796562
N -4.032140 1.147669 -1.275002
C 1.419153 -0.343148 1.580047
C 0.555257 -1.465430 1.013106
C 2.236573 0.335976 0.486544
C 0.555420 0.696708 2.401210
C 0.260566 -1.526956 -0.369868
C 1.876659 0.209548 -0.875478
C -0.012872 -2.455870 1.849366
C 3.354326 1.146652 0.795946
C -0.482931 1.414166 1.556814
C -0.590502 -2.515349 -0.909138
C 2.573504 0.882737 -1.899805
C -0.862603 -3.456490 1.333590
C 4.071275 1.826159 -0.210490
C -1.157224 -3.479502 -0.052020
C 3.671231 1.699078 -1.563213
C -2.852451 1.388012 0.892043
C -2.901314 0.648843 -0.458652
C -4.573100 0.129746 -2.197447
C -3.728161 2.416691 -1.970663
H 2.115811 -0.775443 2.326428
H 1.238166 1.456891 2.819876
H 0.051297 0.165792 3.225781
H 0.208938 -2.432259 2.923823
H 3.657874 1.252331 1.845382
H -0.781103 -2.518101 -1.986611
H 2.248496 0.752114 -2.936235
H -1.292749 -4.210118 2.001267
H 4.929784 2.452224 0.053720
H -1.815970 -4.251879 -0.463518
H 4.216880 2.227502 -2.352266
H -3.767148 1.199346 1.472978
H -2.691324 2.472181 0.761895
H -1.919434 0.754617 -0.979271
H -3.051421 -0.427430 -0.259081
H -3.848908 -0.182583 -2.992379
H -5.473986 0.527930 -2.699047
H -4.869027 -0.770054 -1.629752
H -2.941916 2.303312 -2.758861
H -3.375091 3.175441 -1.252037
H -4.644939 2.804803 -2.449754


