%chk=000194227.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194227

0 1
O 3.084898 -1.182013 -1.351113
O 0.785162 -2.085698 -2.719767
O -1.482339 -1.305096 1.005266
O -4.401556 2.200670 2.715036
O -5.568067 1.668621 0.878710
N 2.633256 -1.465223 1.961507
N -2.035646 -1.823631 -1.141390
N 1.004974 -1.646908 -0.450437
N 3.881178 1.520805 -1.435367
N -4.524621 -0.592229 -0.675050
N 3.760382 3.697984 -0.812282
C 2.664601 -0.405108 0.920585
C 4.020440 0.326617 0.796214
C -0.997483 -2.875323 -1.248110
C 2.318185 -1.110874 -0.415711
C 3.914745 1.551630 -0.030835
C -3.343435 -0.067958 0.048559
C 0.353830 -2.180168 -1.599832
C -2.220456 -1.128101 0.040566
C -1.350695 -3.877232 -2.338322
C -3.604322 0.346179 1.510393
C 2.335842 -0.938212 3.320239
C 3.841511 2.903566 0.330259
C 3.781561 2.852716 -1.870590
C -4.629583 1.429006 1.605399
H 1.863497 0.357562 1.129497
H 4.786325 -0.360623 0.368462
H 4.390680 0.596444 1.808787
H -0.901834 -3.403945 -0.256397
H -2.956551 0.826679 -0.521178
H 3.521584 -1.980275 1.973250
H -2.661998 -1.692475 -1.940282
H 0.481171 -1.672952 0.455764
H -1.320809 -3.423578 -3.342327
H -0.627633 -4.705824 -2.359896
H -2.345801 -4.314185 -2.190362
H -3.922623 -0.527127 2.125582
H -2.644986 0.654687 1.998682
H 3.885986 0.674993 -1.996401
H 2.324090 -1.785470 4.027655
H 1.323194 -0.498093 3.333492
H 3.044219 -0.183998 3.693958
H 3.846741 3.338549 1.312348
H -5.011543 -1.298582 -0.127661
H -5.196413 0.162579 -0.849482
H 3.733952 3.139068 -2.909629
H -5.073612 2.930343 2.824708


%chk=000194227-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194227

0 1
O 2.696428 -0.456711 -1.922500
O 0.527195 -2.190849 -2.898040
O -1.315033 -1.303740 1.287943
O -5.478044 1.038914 3.177385
O -5.078297 1.913767 1.064840
N 2.056480 -0.909668 1.644333
N -2.060006 -1.957568 -0.828664
N 0.998917 -1.526741 -0.677808
N 4.393730 1.690129 -1.503697
N -4.336641 -0.590825 -0.700224
N 5.449717 3.532121 -0.722045
C 2.541713 -0.062048 0.531773
C 4.076226 0.252341 0.591131
C -0.986222 -2.936147 -1.086208
C 2.113954 -0.698167 -0.829441
C 4.534496 1.495327 -0.123561
C -3.350644 -0.248486 0.348056
C 0.257142 -2.194215 -1.673914
C -2.150992 -1.227575 0.324781
C -1.468442 -4.034816 -2.042210
C -3.910248 -0.143603 1.786285
C 1.562702 -0.207694 2.848443
C 5.192641 2.645067 0.336534
C 4.949165 2.920299 -1.818547
C -4.853414 1.032092 1.926581
H 1.996330 0.902199 0.593969
H 4.628875 -0.638408 0.227505
H 4.332724 0.380558 1.659181
H -0.703337 -3.360811 -0.103292
H -2.938320 0.743562 0.078817
H 2.723378 -1.660470 1.867983
H -2.796112 -1.750930 -1.523996
H 0.713914 -1.597203 0.328262
H -1.688318 -3.615122 -3.038864
H -0.682836 -4.797049 -2.176683
H -2.371210 -4.525560 -1.639163
H -4.438069 -1.069054 2.085584
H -3.073188 -0.032139 2.501777
H 3.899616 1.007269 -2.096633
H 1.265494 -0.955148 3.603551
H 0.657846 0.366512 2.586295
H 2.305611 0.482507 3.308135
H 5.499134 2.882934 1.353749
H -4.986858 -1.337937 -0.426599
H -4.840328 0.231464 -1.048698
H 4.968657 3.326490 -2.826884
H -6.075526 1.832931 3.247273


