%chk=000216802.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216802

0 1
O 1.397105 -1.471811 -1.469318
O -0.546896 1.009950 2.862934
O 4.069526 -2.376085 -1.028362
O -3.673980 0.840240 3.727567
N 0.780735 2.427601 1.897093
N 0.739607 1.450315 2.774849
N -2.629842 1.558619 1.763674
N -4.241693 -0.243632 1.826815
C 2.439697 2.958183 0.108374
C 2.050852 3.133901 1.583271
C 2.901111 1.555730 -0.185702
C 1.985327 0.617286 -0.686421
C 4.227926 1.186361 0.044199
C 2.402124 -0.690097 -0.959820
C 3.757880 -1.063075 -0.720091
C 4.656516 -0.122334 -0.221193
C -0.448278 2.708049 1.342329
C -1.383408 1.801015 1.932746
C 1.655856 -2.886259 -1.662164
C 5.398760 -2.841106 -0.689218
C -4.256657 -0.545231 0.428543
C -3.490462 0.724351 2.526901
C -4.584277 -1.869127 0.063545
C -4.005933 0.420820 -0.560302
C -4.644613 -2.212305 -1.286835
C -4.064871 0.052694 -1.905647
C -4.382698 -1.257855 -2.275467
H 3.243684 3.686792 -0.136551
H 1.593052 3.235873 -0.557152
H 1.915952 4.214732 1.830294
H 2.863736 2.741342 2.247489
H 0.941888 0.880127 -0.865756
H 4.944147 1.907602 0.430281
H 5.694476 -0.386727 -0.034632
H -0.667847 3.464518 0.614868
H 0.680753 -3.243435 -2.013954
H 2.436582 -3.022618 -2.418496
H 1.938772 -3.351781 -0.712970
H 5.349256 -3.893600 -0.997209
H 6.150484 -2.298894 -1.269714
H 5.571464 -2.755971 0.387471
H -4.861031 -0.808682 2.421816
H -4.780123 -2.621265 0.823529
H -3.773057 1.451439 -0.285697
H -4.895700 -3.233564 -1.571062
H -3.865624 0.799686 -2.673581
H -4.427681 -1.533372 -3.325675


%chk=000216802-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216802

0 1
O 2.616977 -1.677215 -1.645329
O 0.034043 0.459500 1.687891
O 4.837292 -2.269430 -0.008325
O -1.138911 -2.051913 0.449604
N 0.845592 2.351725 0.913239
N 1.067960 1.434716 1.901734
N -1.837058 0.191956 0.091569
N -3.382596 -1.609797 0.151642
C 2.810597 3.113814 -0.453379
C 1.868167 3.410661 0.755324
C 3.425911 1.725692 -0.380100
C 2.803410 0.639508 -1.044595
C 4.559750 1.462721 0.422293
C 3.264894 -0.684198 -0.903282
C 4.412334 -0.935684 -0.084387
C 5.051810 0.146042 0.566539
C -0.209668 2.079241 0.089103
C -0.798622 0.854121 0.512821
C 2.001171 -2.799414 -0.883762
C 6.028351 -2.556686 0.794990
C -4.615487 -0.937864 -0.059034
C -2.052559 -1.180036 0.266713
C -5.789592 -1.745194 -0.066604
C -4.741309 0.462913 -0.263229
C -7.057795 -1.167169 -0.270600
C -6.018731 1.027538 -0.466272
C -7.184419 0.227410 -0.471692
H 3.588562 3.900574 -0.438158
H 2.241770 3.237287 -1.393384
H 1.352198 4.378602 0.632498
H 2.439000 3.421701 1.698082
H 1.927682 0.791079 -1.685830
H 5.066516 2.283344 0.945092
H 5.936284 -0.028899 1.186506
H -0.489085 2.705900 -0.749288
H 1.613729 -3.478940 -1.657801
H 2.759476 -3.312015 -0.268637
H 1.165976 -2.424197 -0.264717
H 6.177092 -3.642621 0.705622
H 6.915585 -2.024690 0.400098
H 5.872769 -2.286507 1.857526
H -3.444223 -2.626516 0.254382
H -5.703879 -2.828784 0.089299
H -3.840783 1.079333 -0.265844
H -7.947112 -1.807524 -0.271642
H -6.100610 2.109679 -0.622413
H -8.169862 0.678635 -0.628665


