%chk=000229644.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229644

0 1
O -1.202885 -3.363968 0.293144
O 0.617028 -2.001262 -1.142816
O -2.920684 -2.180990 -0.579866
N 0.327976 -0.047032 -0.030812
C 1.092193 0.690247 -1.076171
C -0.217299 0.777189 1.073174
C 0.139506 -1.419119 -0.181910
C -0.664430 -2.157310 0.909731
C 2.528605 0.874920 -0.647578
C -1.409668 1.600855 0.636669
C 0.249673 -2.677682 2.001391
C 2.994964 2.132052 -0.241652
C -1.422821 2.979457 0.895315
C 3.400279 -0.224929 -0.659969
C -2.504708 1.001148 0.000244
C 4.329932 2.288021 0.145645
C -2.528358 3.749985 0.524436
C 4.731210 -0.063863 -0.270441
C -3.605962 1.777112 -0.371603
C 5.198268 1.192656 0.132511
C -3.621421 3.150761 -0.109441
C -2.333708 -3.235092 -0.491233
C -2.638880 -4.549265 -1.111852
H 1.050566 0.107540 -2.033175
H 0.590201 1.662772 -1.280004
H -0.506771 0.138175 1.938245
H 0.603327 1.436350 1.451371
H -1.520126 -1.554384 1.291986
H 0.946192 -3.432221 1.597828
H -0.321768 -3.173466 2.797118
H 0.852051 -1.880112 2.451870
H 2.325305 2.989296 -0.232243
H -0.575971 3.455101 1.385417
H 3.027261 -1.203311 -0.975680
H -2.506077 -0.072368 -0.219151
H 4.692754 3.265958 0.456519
H -2.536825 4.819173 0.728570
H 5.407208 -0.917308 -0.282866
H -4.453626 1.304810 -0.867803
H 6.236574 1.316404 0.432988
H -4.481098 3.751734 -0.398949
H -2.093745 -5.378636 -0.631490
H -2.340523 -4.546034 -2.175382
H -3.716515 -4.768565 -1.072184


%chk=000229644-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229644

0 1
O -1.333401 -3.557142 0.390130
O 0.563804 -2.298963 -1.144059
O -2.759736 -2.185532 -0.836759
N 0.290699 -0.256836 -0.059810
C 1.039970 0.441908 -1.142079
C -0.169062 0.599521 1.055290
C 0.093934 -1.623613 -0.175795
C -0.695714 -2.338629 0.957211
C 2.442073 0.853983 -0.708161
C -1.287552 1.567451 0.662408
C 0.234774 -2.845727 2.065819
C 2.782742 2.219404 -0.543972
C -1.213839 2.927496 1.051077
C 3.427554 -0.136724 -0.456066
C -2.417253 1.112041 -0.065754
C 4.084497 2.593789 -0.135199
C -2.258083 3.824970 0.729264
C 4.726288 0.234506 -0.046379
C -3.457610 2.011211 -0.389700
C 5.058770 1.601481 0.116395
C -3.383951 3.367621 0.007222
C -2.333339 -3.331283 -0.561280
C -2.782110 -4.630007 -1.184139
H 1.083591 -0.263659 -1.989030
H 0.450564 1.326287 -1.445248
H -0.496559 -0.036344 1.894807
H 0.701464 1.174451 1.427215
H -1.505008 -1.697066 1.348101
H 1.000415 -3.511433 1.633691
H -0.341118 -3.408669 2.819519
H 0.745231 -2.004031 2.566694
H 2.028467 2.991259 -0.744883
H -0.337623 3.286335 1.606834
H 3.169972 -1.193574 -0.595232
H -2.482985 0.064734 -0.385697
H 4.337210 3.653504 -0.015853
H -2.190531 4.875311 1.034784
H 5.481934 -0.537351 0.139229
H -4.326046 1.651457 -0.952917
H 6.068397 1.888568 0.431380
H -4.193376 4.061116 -0.247436
H -2.794106 -5.441489 -0.439353
H -2.060440 -4.910004 -1.973109
H -3.775700 -4.505527 -1.639259


