%chk=000237057.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237057

0 1
O 0.061475 0.017612 -1.422259
N 1.310926 1.382881 0.739040
N -0.625514 1.381058 1.917104
C -0.644657 -0.087312 -0.164594
C -0.008412 0.884863 0.815110
C -2.113743 0.218120 -0.440483
C -0.404982 -1.512844 0.320083
C 2.339943 1.113060 -0.235504
C 1.492343 2.233598 1.845789
C -3.000410 -0.825733 -0.742495
C 0.191930 -2.457401 -0.525091
C -2.575360 1.542468 -0.463964
C -0.802862 -1.880363 1.613797
C 0.292843 2.211143 2.556974
C -4.333793 -0.548089 -1.056227
C 0.400964 -3.763252 -0.072875
C -3.909562 1.816861 -0.777329
C -0.592435 -3.187357 2.059604
C 2.789053 -0.202500 -0.430679
C 2.899890 2.186874 -0.947294
C -4.791051 0.772985 -1.074057
C 0.010457 -4.129326 1.218884
C 3.806226 -0.438208 -1.358272
C 3.918759 1.929822 -1.867605
C 4.371835 0.622551 -2.074140
H 2.411808 2.750664 2.039062
H -2.654806 -1.861042 -0.733638
H 0.489888 -2.164454 -1.535553
H -1.904622 2.365999 -0.215992
H -1.277101 -1.144725 2.270173
H -0.250763 0.795684 -1.932362
H 0.038245 2.727021 3.466439
H -5.016623 -1.364437 -1.285090
H 0.865460 -4.495815 -0.730043
H -4.262503 2.846662 -0.782987
H -0.899718 -3.471390 3.064808
H 2.336746 -1.027474 0.123710
H 2.543147 3.203057 -0.787640
H -5.830470 0.987928 -1.315291
H 0.173387 -5.146557 1.569968
H 4.159217 -1.456217 -1.522693
H 4.359900 2.753803 -2.427687
H 5.165142 0.429785 -2.794702


%chk=000237057-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237057

0 1
O -0.076237 0.248979 -1.578231
N 1.288229 1.394315 0.746152
N -0.703403 1.569436 1.815364
C -0.701027 0.045440 -0.237554
C -0.069852 1.020289 0.754277
C -2.222375 0.270832 -0.394708
C -0.364475 -1.400100 0.183020
C 2.359022 1.030323 -0.160533
C 1.488592 2.231093 1.856478
C -3.090155 -0.819249 -0.650844
C 0.128328 -2.337762 -0.753636
C -2.750371 1.588454 -0.438405
C -0.592108 -1.803616 1.522839
C 0.257260 2.321842 2.502721
C -4.454219 -0.600292 -0.943632
C 0.400521 -3.666684 -0.353142
C -4.112074 1.807936 -0.736876
C -0.323527 -3.131640 1.919563
C 2.924536 -0.262546 -0.105654
C 2.879248 2.007651 -1.038678
C -4.971097 0.713955 -0.991288
C 0.175379 -4.068967 0.983426
C 4.003037 -0.583879 -0.958261
C 3.962313 1.681487 -1.883856
C 4.524327 0.383868 -1.848121
H 2.464936 2.656328 2.071975
H -2.700595 -1.841473 -0.619807
H 0.305076 -2.008568 -1.780855
H -2.105241 2.440229 -0.201423
H -0.980859 -1.076575 2.245336
H -0.547767 1.005887 -2.012062
H 0.003075 2.874394 3.404087
H -5.111934 -1.455734 -1.134406
H 0.785467 -4.385529 -1.085671
H -4.505495 2.830467 -0.756534
H -0.504232 -3.435306 2.956926
H 2.520047 -1.004035 0.589498
H 2.427882 3.005506 -1.063423
H -6.030022 0.883856 -1.216560
H 0.384682 -5.099232 1.293316
H 4.438377 -1.588358 -0.922071
H 4.363813 2.436226 -2.568946
H 5.363114 0.130752 -2.505801


