%chk=000223524.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223524

0 1
S 0.041764 2.444141 0.307502
O 0.173213 3.234615 -0.904156
O 0.032554 3.087361 1.610113
O -5.977900 -0.526782 -0.640409
O 4.198831 -2.885493 0.523766
N -4.779228 -2.256721 0.251779
N 5.706710 -1.223508 0.081238
C -1.397935 1.470031 0.170743
C 1.321583 1.255513 0.309651
C -1.920437 1.176014 -1.090603
C 1.894576 0.850715 -0.897693
C -2.035761 1.008596 1.324539
C 1.777546 0.729853 1.520214
C -3.683370 -0.105283 -0.047333
C 3.357687 -0.641432 0.313440
C -3.066254 0.381803 -1.205144
C 2.916493 -0.104370 -0.901264
C -3.179759 0.210933 1.219961
C 2.797122 -0.227904 1.526995
C -4.928387 -0.944109 -0.183876
C 4.425703 -1.705109 0.322565
C -5.902741 -3.211574 0.173773
C 6.868542 -2.134555 0.065930
H -1.446545 1.578583 -1.993147
H 1.557233 1.288771 -1.843810
H -1.652229 1.280733 2.314244
H 1.349217 1.073959 2.468536
H -3.487973 0.158627 -2.186919
H 3.358588 -0.431643 -1.842397
H -3.684184 -0.143988 2.118774
H 3.147022 -0.654032 2.468279
H -3.902084 -2.612069 0.610824
H 5.894842 -0.239980 -0.070578
H -5.652434 -4.059899 -0.484351
H -6.805033 -2.715741 -0.240911
H -6.159345 -3.594510 1.175265
H 6.544495 -3.180136 0.248252
H 7.590321 -1.863415 0.854097
H 7.374954 -2.104395 -0.912988


%chk=000223524-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223524

0 1
S 0.001002 2.346145 0.537773
O 0.170749 3.307599 -0.776798
O -0.151394 2.912914 2.066520
O -5.530523 -1.117139 -1.698464
O 5.013909 -2.291142 1.531136
N -5.396685 -2.061567 0.427109
N 5.895142 -1.253254 -0.360499
C -1.508169 1.236402 0.220023
C 1.492816 1.169553 0.535675
C -1.896467 1.001830 -1.108577
C 2.177761 0.985921 -0.674271
C -2.214671 0.759470 1.333853
C 1.880533 0.578928 1.748930
C -3.754292 -0.347177 -0.231691
C 3.733063 -0.485142 0.534551
C -3.034798 0.198537 -1.326136
C 3.310525 0.142272 -0.667000
C -3.350708 -0.045143 1.095973
C 3.008695 -0.267034 1.734973
C -4.963437 -1.194840 -0.563458
C 4.921526 -1.417940 0.611737
C -6.565880 -2.930005 0.243467
C 7.093219 -2.100231 -0.411685
H -1.343989 1.457019 -1.936992
H 1.845360 1.502245 -1.580818
H -1.904104 1.041097 2.345405
H 1.332577 0.795929 2.671635
H -3.399985 -0.009653 -2.336570
H 3.832407 -0.043071 -1.612799
H -3.935998 -0.390554 1.955875
H 3.348464 -0.775388 2.642524
H -4.848445 -2.157949 1.281930
H 5.826596 -0.467277 -1.007443
H -6.281037 -3.997975 0.272373
H -6.994645 -2.703901 -0.745483
H -7.328655 -2.739830 1.020551
H 6.996215 -2.859328 0.380354
H 8.010240 -1.510370 -0.228351
H 7.180480 -2.606354 -1.390432


