%chk=000203344.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203344

0 1
O 0.240725 0.603481 -1.879827
N 3.262393 2.114314 0.642914
C 0.012424 0.367504 -0.474122
C 0.908175 1.445792 0.215880
C 2.381789 1.268789 -0.222388
C 0.462063 -1.053531 -0.127764
C -1.476383 0.508664 -0.154493
C 0.417631 2.852720 -0.129925
C 0.210147 -1.594361 1.140421
C -1.913108 0.928009 1.110287
C 1.148502 -1.821753 -1.079197
C -2.429488 0.182469 -1.130824
C 0.630648 -2.891719 1.448007
C -3.279529 1.023167 1.389655
C 1.565594 -3.118938 -0.770939
C -3.794738 0.278618 -0.851886
C 4.687985 2.021090 0.220285
C 1.306489 -3.657591 0.493355
C -4.223593 0.699122 0.410805
H 0.834019 1.288122 1.319682
H 2.667078 0.195228 -0.206109
H 2.487029 1.603964 -1.279597
H 1.136060 3.607710 0.220034
H 0.322929 2.975328 -1.217948
H -0.555513 3.078569 0.313795
H -0.398824 0.102528 -2.432654
H 3.183166 1.799371 1.616494
H -0.321252 -1.012374 1.892041
H -1.190380 1.191051 1.882656
H 1.368182 -1.395444 -2.060118
H -2.102125 -0.144712 -2.119375
H 0.428201 -3.306311 2.434104
H -3.608316 1.352875 2.374109
H 2.095198 -3.709611 -1.516434
H -4.524559 0.024938 -1.619116
H 5.112781 1.006584 0.231526
H 5.293326 2.660467 0.883066
H 4.793454 2.424594 -0.800722
H 1.630281 -4.668294 0.733340
H -5.286757 0.774371 0.629980


%chk=000203344-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203344

0 1
O 0.210664 0.540105 -1.977715
N 3.265162 2.085742 0.628514
C 0.004979 0.331805 -0.525512
C 0.916594 1.425659 0.142498
C 2.405478 1.269259 -0.259895
C 0.454891 -1.109545 -0.145602
C -1.491143 0.525998 -0.163646
C 0.436688 2.860651 -0.177936
C 0.057087 -1.716570 1.073648
C -1.899186 0.909296 1.141317
C 1.297679 -1.848846 -1.017861
C -2.501593 0.281126 -1.126475
C 0.488849 -3.018237 1.412193
C -3.265466 1.036577 1.473304
C 1.718788 -3.156720 -0.687566
C -3.870766 0.402975 -0.799433
C 4.675879 2.162499 0.204980
C 1.318503 -3.748530 0.531239
C -4.261813 0.778716 0.504949
H 0.856145 1.255836 1.239347
H 2.698379 0.194056 -0.255763
H 2.533563 1.634695 -1.295562
H 1.196303 3.573220 0.187181
H 0.326998 2.984083 -1.269384
H -0.532473 3.097352 0.292690
H -0.225268 -0.199726 -2.472287
H 3.178580 1.779585 1.608097
H -0.611600 -1.185278 1.757366
H -1.149120 1.133655 1.907918
H 1.637551 -1.389058 -1.951984
H -2.234305 0.013835 -2.154757
H 0.166019 -3.465784 2.359176
H -3.549846 1.341757 2.486805
H 2.366176 -3.707890 -1.379350
H -4.630055 0.209534 -1.565737
H 5.179426 1.170797 0.087580
H 5.253232 2.755689 0.936754
H 4.738142 2.681744 -0.769448
H 1.645444 -4.761908 0.789641
H -5.322858 0.876645 0.759712


