%chk=000207127.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207127

0 1
O -0.802186 -1.081617 -0.005670
O 0.101666 5.129672 -0.637864
N -4.419394 -1.562932 0.100895
C 0.254984 -0.370981 0.691237
C 1.538002 -1.042528 0.244952
C 0.218836 1.096045 0.316483
C -2.140931 -0.756007 0.453434
C 2.733679 -0.859969 0.969717
C -3.028143 -1.626754 -0.450377
C 1.534658 -1.854442 -0.897291
C 0.057048 2.075865 1.309579
C 0.334434 1.476660 -1.028394
C 3.905013 -1.497020 0.529895
C 2.778653 0.002496 2.189882
C 2.704711 -2.485736 -1.324882
C 3.891474 -2.304695 -0.609307
C 0.021199 3.427270 0.975011
C 0.298411 2.823608 -1.393456
C -5.431171 -1.626504 -0.994918
C -4.653497 -2.658988 1.087838
C 0.144313 3.779947 -0.379566
H 0.097159 -0.518785 1.786125
H -2.230738 -1.017325 1.520329
H -2.329477 0.321313 0.312946
H -2.992158 -1.228344 -1.486447
H -2.607232 -2.653978 -0.507029
H 0.599618 -1.997498 -1.445899
H -0.044263 1.783070 2.355098
H 0.450382 0.705371 -1.793603
H 4.833131 -1.360606 1.081136
H 3.774943 0.031011 2.650220
H 2.510538 1.042743 1.947114
H 2.081147 -0.350930 2.961361
H 2.690369 -3.116022 -2.210735
H 4.806709 -2.793258 -0.938560
H -0.101662 4.203633 1.725947
H 0.388662 3.116288 -2.433687
H -6.438462 -1.537597 -0.556517
H -5.400434 -2.541217 -1.604133
H -5.293338 -0.757807 -1.659137
H -3.897378 -2.596603 1.886562
H -4.625285 -3.675111 0.667981
H -5.637505 -2.505957 1.559551
H 0.190413 5.327020 -1.601923


%chk=000207127-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207127

0 1
O -0.778897 -1.175875 -0.125823
O -0.074553 5.202027 -0.493928
N -4.502928 -1.504792 0.032873
C 0.310162 -0.459785 0.576685
C 1.626359 -1.107588 0.146816
C 0.252755 1.044513 0.287060
C -2.119315 -0.849576 0.381099
C 2.818273 -0.886604 0.901487
C -3.106332 -1.712915 -0.419366
C 1.669732 -1.918026 -1.013202
C -0.209274 1.955862 1.269305
C 0.610949 1.548401 -0.987738
C 4.022833 -1.486652 0.456234
C 2.824342 -0.035494 2.160557
C 2.879596 -2.506222 -1.443353
C 4.064396 -2.287976 -0.706772
C -0.312833 3.335670 0.999785
C 0.509693 2.923868 -1.277339
C -5.494552 -1.779274 -1.026373
C -4.821432 -2.230156 1.279715
C 0.047395 3.817603 -0.278579
H 0.166087 -0.601764 1.673191
H -2.167460 -1.075340 1.469667
H -2.354489 0.222849 0.236220
H -3.030037 -1.415573 -1.481023
H -2.789935 -2.783383 -0.355645
H 0.737850 -2.094898 -1.556637
H -0.491230 1.582428 2.262315
H 0.974455 0.856221 -1.754656
H 4.940290 -1.322725 1.034928
H 3.827562 -0.019458 2.619173
H 2.530415 1.009353 1.947969
H 2.115358 -0.419793 2.920024
H 2.894310 -3.133020 -2.342215
H 5.009684 -2.740169 -1.028063
H -0.667532 4.044372 1.753719
H 0.791949 3.300603 -2.269583
H -6.505474 -1.521114 -0.661748
H -5.513325 -2.849557 -1.356598
H -5.281402 -1.151753 -1.909641
H -4.114457 -1.950915 2.079573
H -4.782988 -3.343649 1.160204
H -5.836767 -1.956538 1.618523
H 0.197667 5.439618 -1.414943


