%chk=000208489.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208489

1 1
O -1.465882 1.373489 -2.582924
O 0.575184 -0.731501 -1.200712
O -0.644411 1.849584 -0.534124
N -3.938310 0.132458 0.719655
C -3.577006 1.400427 -0.060224
C -2.910059 -0.984978 0.433184
C -3.946613 0.447809 2.227278
C -5.304959 -0.369920 0.300542
C -3.675865 1.242255 -1.580276
C -1.543995 -0.719262 1.027884
C -5.042802 1.409925 2.643834
C -2.677968 2.136997 -2.319949
C -0.507968 1.293411 -1.600316
C 2.070327 0.524294 0.993125
C 2.559136 -0.687896 0.230662
C 0.618355 0.405231 -2.096169
C 1.848339 -1.232692 -0.845916
C 1.876658 0.186392 2.477357
C 3.043165 1.695815 0.814349
C 3.761675 -1.331355 0.577269
C 2.278750 -2.348927 -1.571619
C 3.475837 -2.972984 -1.200569
C 4.212960 -2.449086 -0.120016
C 3.977089 -4.168630 -1.935911
H -4.231894 2.235703 0.281215
H -2.525548 1.696033 0.227517
H -2.825126 -1.094277 -0.677749
H -3.316521 -1.948374 0.820038
H -2.947998 0.869977 2.502371
H -4.044449 -0.513791 2.785300
H -6.060810 0.437119 0.325262
H -5.298757 -0.776660 -0.726845
H -5.663898 -1.173986 0.969781
H -4.703984 1.475040 -1.929881
H -3.482597 0.191004 -1.898479
H -1.200477 0.326138 0.935312
H -1.454383 -1.015334 2.079301
H -0.764974 -1.294285 0.478121
H -5.033044 2.356811 2.085800
H -4.915106 1.689033 3.706755
H -6.053085 0.984827 2.571191
H -3.011234 2.372981 -3.351736
H -2.422340 3.067210 -1.781706
H 1.072997 0.835507 0.580282
H 0.436135 0.017426 -3.119724
H 1.590157 0.936929 -2.054693
H 2.829205 -0.042654 2.971550
H 1.229201 -0.685700 2.609298
H 1.434566 1.029532 3.018753
H 4.019839 1.492623 1.269955
H 2.654446 2.607834 1.282111
H 3.222599 1.916635 -0.242806
H 4.351388 -0.942334 1.409843
H 1.679751 -2.720256 -2.399670
H 5.150025 -2.925022 0.171140
H 4.132025 -5.023761 -1.259928
H 3.294983 -4.507649 -2.726961
H 4.946877 -3.965233 -2.417230


%chk=000208489-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208489

1 1
O -1.554982 1.111132 -2.955301
O 0.367368 0.149001 -0.993411
O -1.007220 2.959330 -1.627015
N -3.613214 -0.180299 0.648873
C -3.032941 0.704749 -0.476978
C -3.517961 -1.693365 0.294266
C -2.794239 0.074392 1.948371
C -5.082921 0.144151 0.887231
C -3.685312 0.535357 -1.862170
C -2.102385 -2.226178 0.046652
C -2.929586 1.478290 2.548923
C -2.998805 1.467448 -2.887523
C -0.679817 1.893469 -2.189520
C 1.831905 0.990456 1.425678
C 2.227441 -0.227459 0.587547
C 0.650008 1.172961 -2.040741
C 1.530775 -0.600874 -0.588323
C 1.343945 0.565616 2.837940
C 2.994270 2.013406 1.537082
C 3.319257 -1.059098 0.957189
C 1.893550 -1.722794 -1.367209
C 2.988625 -2.534362 -0.990324
C 3.694317 -2.180184 0.191965
C 3.401420 -3.739966 -1.814938
H -3.133673 1.747605 -0.134420
H -1.959238 0.458475 -0.524270
H -4.153166 -1.836456 -0.595497
H -3.998295 -2.221298 1.137712
H -1.743636 -0.129485 1.686943
H -3.133119 -0.693279 2.666945
H -5.212083 1.231417 0.982057
H -5.678673 -0.225596 0.039893
H -5.415184 -0.353803 1.811432
H -4.760516 0.795616 -1.849171
H -3.585371 -0.502730 -2.225794
H -1.557936 -1.677999 -0.740174
H -1.479663 -2.235188 0.956028
H -2.197061 -3.275140 -0.286287
H -2.563673 2.273035 1.878065
H -2.294637 1.510776 3.452095
H -3.956504 1.717487 2.870680
H -3.390212 1.289903 -3.899854
H -3.099403 2.533833 -2.619102
H 0.986941 1.490734 0.914514
H 0.960026 0.684622 -2.981575
H 1.424617 1.878124 -1.692823
H 2.153440 0.076909 3.410145
H 0.504422 -0.154324 2.777575
H 1.012783 1.449082 3.415176
H 3.860772 1.581528 2.070421
H 2.668732 2.909455 2.096459
H 3.343514 2.338997 0.540748
H 3.891066 -0.816815 1.860676
H 1.310766 -1.959635 -2.265515
H 4.547763 -2.790427 0.510201
H 3.388166 -4.665124 -1.209654
H 2.734328 -3.891895 -2.680204
H 4.430815 -3.623683 -2.201786


