%chk=000217351.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217351

0 1
O 3.471978 -2.986900 -0.207192
O 1.377743 -1.183972 0.182492
O -4.850214 0.194544 -1.036630
N 4.452292 0.480572 -0.943468
N -3.937291 0.258779 1.108212
N -6.266695 0.578810 0.752630
C 4.176142 1.845315 -0.376724
C 4.154471 -0.665446 -0.042600
C 3.410240 -1.727795 -0.884524
C 2.664894 1.990809 -0.134194
C 4.949827 2.096790 0.937239
C 4.638524 2.861516 -1.441817
C 1.947421 -1.339882 -1.154213
C 0.045639 -0.837484 0.277153
C -0.403516 -0.761445 1.611277
C -0.807697 -0.572321 -0.799581
C -2.597870 -0.139745 0.779970
C -1.725470 -0.415002 1.858347
C -2.134668 -0.221991 -0.543301
C -4.994816 0.344550 0.165293
C -7.371320 0.930958 -0.170859
H 5.421338 0.417664 -1.270230
H 5.065567 -1.125946 0.393444
H 3.512375 -0.363142 0.815875
H 3.937637 -1.935115 -1.845706
H 2.424852 2.946690 0.338721
H 2.108070 1.934750 -1.076845
H 2.272290 1.190431 0.508812
H 6.024556 1.937728 0.814431
H 4.812669 3.126142 1.283750
H 4.607389 1.440601 1.742848
H 4.187737 2.641447 -2.417685
H 4.342196 3.878533 -1.166653
H 5.724220 2.860487 -1.573489
H 1.879428 -0.376762 -1.691561
H 1.397964 -2.138553 -1.678939
H 2.883244 -2.981044 0.580890
H 0.286760 -0.976804 2.423648
H -0.463174 -0.633276 -1.828231
H -2.078921 -0.357657 2.886310
H -2.812700 -0.018057 -1.382166
H -4.162642 0.244498 2.103325
H -6.324421 1.032250 1.660801
H -7.458592 2.015528 -0.341352
H -7.215731 0.447448 -1.157243
H -8.317926 0.548803 0.246431


%chk=000217351-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217351

0 1
O 3.420152 -2.918028 0.098232
O 1.229952 -1.259337 0.336691
O -5.060207 0.346862 -1.249316
N 4.248296 0.609852 -0.947789
N -4.266290 -0.020282 0.946817
N -6.512109 0.532851 0.575393
C 4.506125 1.976630 -0.382663
C 4.104259 -0.529168 -0.014023
C 3.341479 -1.687899 -0.703795
C 3.250188 2.460567 0.384827
C 5.747753 2.006611 0.558344
C 4.749817 2.907333 -1.595947
C 1.879118 -1.325596 -0.990645
C -0.141487 -0.945112 0.388965
C -0.715662 -0.908526 1.682121
C -0.945652 -0.669848 -0.741592
C -2.895730 -0.322368 0.704449
C -2.077623 -0.600303 1.835337
C -2.315113 -0.360335 -0.588880
C -5.259546 0.289265 0.002753
C -7.670242 0.869964 -0.256150
H 4.941153 0.396991 -1.680988
H 5.067802 -0.941819 0.359447
H 3.520036 -0.203837 0.864678
H 3.838565 -1.938672 -1.659617
H 3.384823 3.506001 0.717384
H 2.361933 2.406949 -0.268645
H 3.052348 1.848311 1.283225
H 6.660087 1.694525 0.014875
H 5.917615 3.023724 0.958114
H 5.609406 1.324507 1.417092
H 3.873047 2.898528 -2.267485
H 4.930304 3.945072 -1.263517
H 5.634877 2.580779 -2.177249
H 1.830685 -0.342580 -1.496402
H 1.388780 -2.110187 -1.599179
H 2.742767 -2.829121 0.819791
H -0.085772 -1.121867 2.551113
H -0.523373 -0.690186 -1.750369
H -2.509773 -0.575280 2.844488
H -2.940030 -0.147195 -1.457933
H -4.540734 -0.035696 1.931097
H -6.639701 0.477039 1.586000
H -8.072980 1.869749 -0.006746
H -7.328375 0.878115 -1.303532
H -8.477166 0.120321 -0.152073


