%chk=000213985.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213985

0 1
O 2.213997 -1.865329 2.219905
N 4.193780 -0.990072 0.160235
C -2.810393 1.238122 1.020571
C -1.441509 1.699844 1.535161
C -0.380256 -0.516523 0.156499
C -2.887670 -0.096048 0.321117
C -0.494136 1.948087 0.396261
C -1.796290 -0.883947 -0.088071
C 0.020417 0.834561 -0.300611
C 0.460437 -1.359332 0.774559
C 1.905140 -1.063671 1.059715
C 2.812597 -1.497508 -0.117993
C -4.193203 -0.557210 0.046436
C -0.126270 3.239072 0.003351
C -2.029387 -2.096458 -0.768736
C 0.881770 1.022992 -1.385679
C -4.412775 -1.758702 -0.621847
C 0.740481 3.421447 -1.080310
C -3.323582 -2.534059 -1.036549
C 1.240835 2.317855 -1.775600
C 4.351641 0.416064 -0.317527
C 5.222236 -1.870435 -0.469368
H -3.203884 2.010190 0.319507
H -3.514424 1.228122 1.882208
H -1.016489 0.937790 2.225635
H -1.571781 2.611722 2.151639
H 2.073098 0.002998 1.338182
H 0.130673 -2.331408 1.154646
H 2.388059 -1.142663 -1.081333
H 2.816708 -2.608303 -0.165696
H -5.049181 0.038467 0.361378
H -0.515714 4.104224 0.535996
H -1.179454 -2.697795 -1.091918
H 1.272096 0.158993 -1.924283
H -5.428636 -2.094190 -0.822726
H 1.021523 4.428614 -1.383159
H -3.487929 -3.471568 -1.562892
H 1.906893 2.463613 -2.623134
H 3.183268 -1.828262 2.388495
H 3.557176 1.045796 0.117210
H 4.322624 0.540181 -1.409680
H 5.313823 0.806860 0.050842
H 5.141965 -2.881684 -0.038413
H 6.224174 -1.489823 -0.212207
H 5.156754 -1.952321 -1.563820


%chk=000213985-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213985

0 1
O 2.459721 -1.203574 2.023131
N 4.368179 -1.429017 0.171600
C -3.042997 1.232506 1.029907
C -1.711950 1.844709 1.533279
C -0.414705 -0.283265 0.062737
C -2.993132 -0.141033 0.349755
C -0.783616 2.195682 0.386753
C -1.810010 -0.829562 -0.067099
C -0.166806 1.139917 -0.343392
C 0.597377 -1.097145 0.497454
C 2.044026 -0.725478 0.696355
C 2.976383 -1.420887 -0.350802
C -4.250633 -0.772761 0.149868
C -0.535246 3.536608 0.010087
C -1.950263 -2.116969 -0.667169
C 0.675676 1.452625 -1.439789
C -4.372749 -2.045055 -0.441414
C 0.307353 3.842459 -1.083769
C -3.204981 -2.726959 -0.852690
C 0.912818 2.795003 -1.813547
C 5.047961 -0.118772 0.039363
C 5.190614 -2.547317 -0.339231
H -3.511410 1.952777 0.327172
H -3.736272 1.153942 1.890939
H -1.217575 1.130680 2.220152
H -1.946720 2.752561 2.119468
H 2.170864 0.374673 0.634754
H 0.360726 -2.120937 0.819551
H 2.886471 -0.919353 -1.341271
H 2.653592 -2.472167 -0.465137
H -5.155255 -0.245437 0.480010
H -1.002666 4.347356 0.582556
H -1.046091 -2.626063 -1.018261
H 1.123152 0.635257 -2.016941
H -5.361244 -2.496874 -0.580239
H 0.487463 4.886463 -1.364065
H -3.272241 -3.714085 -1.323350
H 1.560514 3.020014 -2.668381
H 3.430637 -1.451006 1.876237
H 4.440382 0.670996 0.511736
H 5.224416 0.164859 -1.025418
H 6.022405 -0.154209 0.557332
H 4.685302 -3.506227 -0.130849
H 6.166964 -2.553552 0.177557
H 5.382766 -2.483081 -1.436943


