%chk=000215492.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215492

0 1
O 0.913916 1.236185 -1.640883
O 0.123159 3.459968 0.506089
O 2.506031 2.771665 0.990024
O 2.031767 -1.199253 -1.315968
O 5.501156 -1.464212 1.959677
N -1.065727 0.296493 -0.767379
N 3.886622 -0.396201 -0.257725
N -1.843728 -1.834870 -1.129920
N -2.928949 1.136423 0.693466
N -4.666448 -0.554181 1.049458
N -4.556699 -2.735953 0.139785
C 0.192337 2.034222 0.524800
C -0.258336 1.532095 -0.877308
C 1.700863 1.673915 0.620403
C 2.089726 1.182625 -0.800109
C 2.623748 -0.257043 -0.820030
C -2.282617 0.199746 -0.078851
C -0.850220 -0.984925 -1.390745
C -2.756612 -1.134777 -0.316551
C 4.532786 -1.724294 -0.169167
C -4.000251 -1.493538 0.282649
C 4.515176 -2.258735 1.269175
C -4.104606 0.683605 1.211287
H -0.409343 1.624169 1.362639
H -0.805389 2.305608 -1.474599
H 1.904638 0.915264 1.409806
H 2.803554 1.880983 -1.300868
H -0.678817 3.765152 0.993864
H 2.106890 3.631725 0.672302
H 0.059416 -1.172507 -1.970348
H 4.350373 0.354696 0.253180
H 5.590210 -1.624842 -0.514654
H 4.016717 -2.442777 -0.852781
H 4.817418 -3.321024 1.306907
H 3.534361 -2.131279 1.759799
H -4.677459 1.390128 1.836243
H -5.449496 -2.952644 0.553300
H -4.106342 -3.429112 -0.439086
H 5.549078 -1.724501 2.899321


%chk=000215492-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215492

0 1
O 0.912996 0.777772 -0.988186
O 0.443686 3.115920 1.042095
O 2.104071 1.580285 2.401481
O 2.036901 -1.726710 0.040899
O 6.772023 -0.381373 0.074978
N -1.316739 0.117752 -0.357195
N 4.041157 -0.585570 -0.294209
N -2.262663 -1.969948 -0.333273
N -3.374984 1.509331 -0.359859
N -5.411306 0.126591 -0.352342
N -5.365342 -2.237503 -0.332962
C 0.007028 1.713974 1.048416
C -0.338328 1.220902 -0.378540
C 1.281680 0.907821 1.419453
C 1.987169 0.722868 0.037101
C 2.687045 -0.639127 -0.080878
C -2.700444 0.321047 -0.359463
C -1.105766 -1.277898 -0.338772
C -3.266110 -0.981029 -0.346343
C 4.887279 -1.783329 -0.365972
C -4.689938 -1.047004 -0.344326
C 6.109696 -1.617668 0.539384
C -4.730028 1.312622 -0.359714
H -0.831225 1.558575 1.750091
H -0.775895 2.028885 -0.991237
H 1.010531 -0.075928 1.836223
H 2.680909 1.567272 -0.139282
H -0.336917 3.719021 0.986025
H 1.976593 2.557955 2.247847
H -0.098327 -1.697684 -0.332930
H 4.527441 0.312177 -0.365186
H 5.224564 -1.944812 -1.407748
H 4.275185 -2.648603 -0.059999
H 6.778899 -2.495095 0.429724
H 5.793402 -1.521062 1.597820
H -5.349309 2.214730 -0.364724
H -6.383001 -2.228986 -0.334295
H -4.845826 -3.112776 -0.332125
H 7.552797 -0.175395 0.645219


