%chk=000236602.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236602

0 1
O 2.542070 1.465800 -0.067062
O 0.647865 3.323748 -0.515115
N 3.015477 -1.275798 -0.091806
N -3.337219 -1.072800 -0.089480
C 0.842113 -0.234945 0.497221
C -1.485884 0.504873 0.390356
C 1.830955 -1.323461 0.833152
C -2.957256 0.218240 0.579488
C -0.535362 -0.490681 0.628996
C 1.246055 1.046950 0.108511
C -1.083063 1.796383 0.004085
C 0.276700 2.058907 -0.134993
C 2.644167 -1.743816 -1.460274
C 4.141883 -2.088522 0.455924
C -3.221436 -0.955106 -1.573675
C -4.731992 -1.450729 0.291338
H 2.190713 -1.152814 1.876524
H 1.329632 -2.317128 0.835541
H -3.153389 0.107949 1.672670
H -3.573325 1.079264 0.238119
H -0.878295 -1.487403 0.912526
H -1.802625 2.588011 -0.189547
H 1.808566 -1.128565 -1.838237
H 2.340400 -2.799160 -1.517792
H 3.498272 -1.589928 -2.138329
H 3.914669 -3.156223 0.592622
H 4.452085 -1.672671 1.428311
H 5.007442 -2.008223 -0.222071
H -2.181123 -0.692393 -1.831296
H -3.885253 -0.209283 -2.033662
H -3.431463 -1.936351 -2.026588
H -4.978665 -2.416907 -0.177817
H -5.506315 -0.723852 0.006639
H -4.779166 -1.601997 1.381452
H 3.176879 0.661190 -0.090798
H 1.644885 3.385841 -0.587634


%chk=000236602-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236602

0 1
O 2.621692 1.285776 -0.005057
O 0.841052 3.307547 -0.423449
N 3.052585 -1.235410 -0.084405
N -3.472682 -1.019460 -0.076278
C 0.789941 -0.312386 0.457157
C -1.525199 0.516545 0.328100
C 1.816080 -1.390931 0.771181
C -3.023315 0.276484 0.489954
C -0.603678 -0.537230 0.544043
C 1.260006 0.985164 0.131164
C -1.043019 1.811193 0.007189
C 0.340653 2.042729 -0.091906
C 2.797984 -1.628866 -1.499609
C 4.221683 -1.951738 0.488283
C -3.365797 -1.062865 -1.548460
C -4.817462 -1.401669 0.395510
H 2.154072 -1.292150 1.822356
H 1.378843 -2.406324 0.655115
H -3.279079 0.260129 1.569266
H -3.582263 1.141500 0.046626
H -0.997594 -1.535119 0.770021
H -1.732821 2.641948 -0.177986
H 1.926344 -1.071508 -1.879896
H 2.595159 -2.717586 -1.594213
H 3.676500 -1.373169 -2.116327
H 4.044384 -3.047070 0.565261
H 4.440497 -1.557427 1.495311
H 5.105071 -1.785735 -0.151585
H -2.331614 -0.826481 -1.850813
H -4.050158 -0.336888 -2.058052
H -3.610441 -2.077927 -1.910276
H -5.072984 -2.406574 0.013259
H -5.624365 -0.696934 0.067104
H -4.828453 -1.441446 1.499802
H 3.092786 0.321244 -0.051570
H 1.834588 3.231035 -0.449524


