%chk=000224540.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224540

0 1
O 4.445390 -1.868914 -1.340355
O -0.361279 -1.876943 0.047076
N 2.090923 -0.681650 -0.246815
N -3.077192 -1.595110 0.048239
C -0.042785 3.809834 0.453375
C -0.172120 2.284777 0.394064
C 0.919751 0.129454 -0.049654
C -1.465924 0.225942 0.564528
C 0.959722 1.523406 0.035440
C -1.370591 1.627640 0.653277
C -0.335840 -0.518661 0.197876
C 2.009867 -1.593942 -1.434549
C 3.394784 0.055511 -0.244618
C -2.773456 -0.427467 0.944033
C -1.279670 4.478388 1.085333
C 0.123979 4.333606 -0.987962
C 1.189825 4.191018 1.299691
C 3.187402 -2.577307 -1.378875
C 4.531025 -0.981235 -0.208165
C -3.465362 -1.137960 -1.329381
C -4.111850 -2.499571 0.652431
C -3.233855 -2.265501 -2.334551
C -3.490501 -3.327813 1.776425
H 1.885560 2.054686 -0.182260
H -2.260417 2.189200 0.931692
H 2.019885 -1.033060 -2.392454
H 1.048363 -2.161477 -1.386271
H 3.445687 0.691775 0.665723
H 3.517477 0.714970 -1.130975
H -2.677795 -0.804616 1.992154
H -3.596548 0.320397 0.957470
H -1.154276 5.565134 1.137966
H -2.186807 4.287831 0.503167
H -1.448934 4.121049 2.106597
H -0.735006 4.058692 -1.609224
H 0.214745 5.423675 -1.008233
H 1.016180 3.919791 -1.468382
H 1.271345 5.275740 1.418562
H 1.130206 3.749464 2.300543
H 2.122247 3.843611 0.843982
H 3.123519 -3.240186 -0.497452
H 3.278092 -3.172246 -2.303640
H 5.522208 -0.515321 -0.342663
H 4.507384 -1.579118 0.720467
H -4.516925 -0.784184 -1.378437
H -2.824067 -0.267133 -1.602397
H -4.995881 -1.941042 1.028821
H -4.485357 -3.183726 -0.143471
H -1.332754 -2.233389 0.068974
H -2.196463 -2.625501 -2.293091
H -3.881467 -3.129180 -2.145766
H -3.423714 -1.921886 -3.357341
H -2.616009 -3.890988 1.423333
H -3.148113 -2.702590 2.610432
H -4.210507 -4.050172 2.176016


%chk=000224540-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224540

0 1
O 4.424168 -2.000034 -1.347635
O -0.497232 -1.875399 0.017942
N 2.040938 -0.607482 -0.449956
N -3.045811 -1.639118 0.068676
C -0.013232 3.899386 0.490291
C -0.174172 2.363097 0.380989
C 0.884772 0.156764 -0.139152
C -1.496259 0.291884 0.516670
C 0.938914 1.570678 -0.007496
C -1.393961 1.698968 0.636062
C -0.373810 -0.485495 0.123086
C 1.965982 -1.649442 -1.508081
C 3.362117 0.048143 -0.398870
C -2.777701 -0.424406 0.925496
C -1.323322 4.598139 0.937420
C 0.395396 4.483968 -0.895721
C 1.093615 4.236262 1.534602
C 3.105274 -2.663018 -1.337274
C 4.470349 -1.012663 -0.260232
C -3.478696 -1.241839 -1.313890
C -3.999175 -2.589221 0.726082
C -3.245078 -2.349846 -2.355977
C -3.334134 -3.444601 1.820814
H 1.882122 2.074698 -0.240746
H -2.281879 2.261904 0.942937
H 2.044563 -1.175981 -2.515044
H 0.995681 -2.163211 -1.422707
H 3.407114 0.716280 0.480819
H 3.554958 0.662673 -1.311431
H -2.679953 -0.789206 1.966393
H -3.643438 0.273076 0.899595
H -1.158749 5.689687 1.002717
H -2.144309 4.425186 0.216808
H -1.653846 4.247720 1.932958
H -0.382535 4.273468 -1.652543
H 0.528678 5.580808 -0.828106
H 1.343836 4.048305 -1.258495
H 1.227891 5.331910 1.615995
H 0.822516 3.843212 2.531779
H 2.066712 3.795429 1.252537
H 2.973718 -3.213002 -0.380809
H 3.129524 -3.375667 -2.178327
H 5.467748 -0.545487 -0.323866
H 4.361216 -1.529521 0.718372
H -4.548549 -0.932592 -1.301236
H -2.884066 -0.352594 -1.590313
H -4.864661 -2.026179 1.144924
H -4.399910 -3.256542 -0.056956
H -1.554087 -2.056749 0.022975
H -2.178724 -2.635179 -2.381938
H -3.842114 -3.256930 -2.151028
H -3.529532 -1.986032 -3.359931
H -2.498876 -4.032656 1.402407
H -2.933753 -2.829484 2.645766
H -4.072138 -4.144367 2.253354


