%chk=000279027.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279027

0 1
S 5.501346 -0.369070 -0.047851
O 5.967739 -0.208193 1.315274
O 5.899301 -1.513223 -0.844145
N -1.218316 -0.404846 0.187209
N -0.384989 0.382440 -0.316245
N -4.784579 -1.030191 0.678119
N -4.595417 1.070281 -0.598763
N 6.084218 1.009232 -0.899171
N -6.699655 0.181014 0.005593
C 3.789329 -0.201013 -0.095270
C -2.602352 -0.143808 0.072895
C 1.017954 0.076820 -0.175614
C 3.060998 -0.765942 -1.149299
C 3.126905 0.491439 0.925645
C -3.436969 -1.133989 0.698343
C -3.243984 0.959831 -0.574555
C 1.674196 -0.633946 -1.197918
C 1.740684 0.634665 0.895555
C -2.873586 -2.319794 1.397976
C -2.494740 2.045823 -1.255178
C -5.334467 0.073237 0.027825
H 3.579566 -1.327562 -1.935785
H 3.696985 0.913359 1.762217
H 1.103592 -1.073911 -2.014206
H 1.221203 1.169968 1.688697
H -2.208523 -2.014839 2.223297
H -3.654855 -2.973448 1.818662
H -2.256940 -2.927740 0.714872
H -1.808869 2.558868 -0.558350
H -1.858417 1.648316 -2.065311
H -3.158531 2.808481 -1.694183
H 6.594428 1.715824 -0.374438
H 6.548275 0.859782 -1.792051
H -7.275605 -0.519032 0.447477
H -7.143822 0.961867 -0.452723


%chk=000279027-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279027

0 1
S 5.592598 -0.151975 0.182632
O 6.254909 1.229669 0.737187
O 5.882453 -1.616181 0.835618
N -1.198724 -0.298576 0.014922
N -0.425840 0.766953 0.020911
N -4.709695 -1.334078 -0.064639
N -4.694461 1.126516 -0.075640
N 6.065821 -0.289970 -1.592995
N -6.687820 -0.090381 -0.123982
C 3.729684 0.093245 0.117907
C -2.591180 -0.108180 -0.018902
C 0.975391 0.452348 0.055868
C 2.910691 -1.051387 0.119421
C 3.238444 1.408225 0.100145
C -3.353599 -1.337143 -0.030320
C -3.333750 1.135982 -0.041478
C 1.517546 -0.865737 0.088079
C 1.839989 1.579939 0.068629
C -2.682125 -2.688344 -0.005971
C -2.697592 2.499971 -0.028164
C -5.320282 -0.099128 -0.087087
H 3.358731 -2.049060 0.167775
H 3.925485 2.259263 0.134851
H 0.830938 -1.716724 0.089965
H 1.392723 2.578520 0.055852
H -2.039728 -2.794252 0.885424
H -3.453870 -3.472798 -0.004793
H -2.023036 -2.816701 -0.882554
H -2.054412 2.628018 0.860151
H -2.020778 2.629259 -0.890962
H -3.492550 3.261564 -0.043292
H 6.674957 0.511833 -1.826642
H 6.527539 -1.205308 -1.726024
H -7.188742 -0.975932 -0.132769
H -7.177610 0.801250 -0.140522


