%chk=000206863.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206863

1 1
O 0.250389 1.461019 0.151676
O -0.559826 2.067170 -1.863021
O -5.317175 -1.199992 0.993850
N 2.468603 -2.119895 -0.432301
C 2.976274 0.359819 -0.783580
C 3.666835 0.439286 0.599271
C 1.904885 -0.750216 -0.807861
C 4.234212 -0.943549 0.968944
C 3.178425 -2.049163 0.925536
C 2.327717 1.699240 -1.159829
C 2.724476 0.972463 1.693139
C 1.443133 2.297032 -0.062383
C 2.115789 2.324196 1.310354
C 3.424022 -2.609727 -1.498247
C 1.320429 -3.104832 -0.328692
C -0.760228 1.511785 -0.806106
C -1.947325 0.787643 -0.347429
C -3.014518 0.614661 -1.250097
C -2.061050 0.313448 0.978250
C -4.171880 -0.050153 -0.858338
C -3.200733 -0.354093 1.387131
C -4.260618 -0.529561 0.460850
C -6.505135 -1.392143 0.177592
H 3.755111 0.130544 -1.554821
H 4.526061 1.154671 0.509538
H 1.087525 -0.470520 -0.086915
H 1.426947 -0.804044 -1.811002
H 4.667830 -0.909024 1.994469
H 5.094973 -1.188060 0.314304
H 3.639098 -3.037182 1.153126
H 2.410688 -1.862500 1.715634
H 3.123573 2.434692 -1.408245
H 1.731165 1.606613 -2.095918
H 3.277230 1.074941 2.648634
H 1.905156 0.254032 1.890100
H 1.074714 3.305489 -0.366099
H 1.371372 2.626406 2.078773
H 2.890930 3.118028 1.317110
H 4.282916 -1.920515 -1.617093
H 3.833804 -3.607196 -1.256763
H 2.930506 -2.683882 -2.485360
H 0.778850 -3.203214 -1.288991
H 1.668128 -4.115465 -0.046222
H 0.576136 -2.787196 0.426564
H -2.926304 1.012627 -2.267744
H -1.240314 0.490086 1.679279
H -4.991872 -0.175354 -1.561138
H -3.321748 -0.723520 2.404843
H -6.931608 -0.425016 -0.105730
H -7.167841 -1.921378 0.878429
H -6.273027 -2.014804 -0.690372


%chk=000206863-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206863

1 1
O 0.229843 1.444048 0.187894
O -0.768041 2.308333 -1.741682
O -5.481516 -1.305979 0.923065
N 2.578899 -2.185081 -0.406753
C 2.999886 0.336407 -0.796342
C 3.720694 0.458214 0.580842
C 1.971194 -0.813324 -0.799949
C 4.323856 -0.912695 0.985263
C 3.290827 -2.050714 0.961142
C 2.304236 1.666463 -1.203840
C 2.797703 1.054257 1.677114
C 1.437043 2.294427 -0.092674
C 2.188790 2.406526 1.240444
C 3.547577 -2.682909 -1.472882
C 1.444448 -3.196561 -0.275071
C -0.860444 1.597214 -0.709965
C -2.047464 0.828281 -0.281114
C -3.172997 0.793159 -1.146304
C -2.114315 0.148365 0.970439
C -4.339022 0.092834 -0.790173
C -3.270077 -0.553607 1.336547
C -4.389725 -0.586872 0.457953
C -6.704256 -1.337445 0.102163
H 3.764253 0.129153 -1.573629
H 4.562895 1.166104 0.443948
H 1.160178 -0.610410 -0.081690
H 1.523466 -0.946479 -1.801185
H 4.718375 -0.862146 2.017959
H 5.189524 -1.161792 0.342420
H 3.751992 -3.030512 1.175997
H 2.489440 -1.871557 1.698233
H 3.093190 2.401641 -1.455980
H 1.696261 1.539083 -2.117783
H 3.384260 1.193981 2.604492
H 1.971331 0.360868 1.928584
H 1.071005 3.277732 -0.438446
H 1.503849 2.789668 2.016796
H 2.993059 3.158506 1.117159
H 4.385346 -1.982241 -1.576719
H 3.927492 -3.672765 -1.175584
H 3.011192 -2.760529 -2.431167
H 0.941075 -3.302586 -1.248552
H 1.858150 -4.167175 0.040880
H 0.723342 -2.834646 0.473420
H -3.119526 1.333197 -2.097517
H -1.267311 0.207521 1.660117
H -5.194389 0.086792 -1.471258
H -3.351853 -1.065252 2.299976
H -7.104835 -0.318033 -0.048310
H -7.418014 -1.937324 0.683196
H -6.514186 -1.820442 -0.874373


