%chk=000238459.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238459

0 1
O 0.181589 -0.422754 1.868252
N -2.660647 0.397917 -1.239028
N 3.187767 -0.665283 -1.294316
C 0.069219 -1.057382 0.565850
C -0.410528 0.079019 -0.352659
C 1.463832 -1.581921 0.152096
C -0.930203 -2.226222 0.704441
C -1.845966 0.475136 -0.149045
C 2.487066 -0.519103 -0.132889
C -1.278576 -2.881689 -0.625533
C -2.310857 0.932502 1.102719
C 2.732325 0.545695 0.758014
C -3.642432 1.322658 1.225128
C 3.723358 1.474309 0.442126
C -3.957304 0.783885 -1.100929
C 4.150173 0.248403 -1.585641
C -4.486815 1.252358 0.110024
C 4.450639 1.330748 -0.744663
H -0.234472 -0.212924 -1.414542
H 0.229485 0.976117 -0.182576
H 1.863849 -2.252740 0.940686
H 1.347281 -2.238554 -0.744730
H -0.528263 -2.984195 1.403229
H -1.855844 -1.841829 1.184216
H -1.971541 -3.718909 -0.482821
H -1.768065 -2.171461 -1.309693
H -0.392101 -3.270870 -1.140192
H 0.428743 -1.062369 2.558285
H -1.621492 0.962696 1.949589
H 2.133943 0.639016 1.667188
H -4.024920 1.681022 2.180357
H 3.929374 2.306693 1.114858
H -4.575200 0.707527 -2.002691
H 4.686664 0.091782 -2.528584
H -5.527541 1.553658 0.179330
H 5.228159 2.040066 -1.012258


%chk=000238459-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238459

0 1
O 0.123300 -0.463615 1.919439
N -2.767965 0.092485 -1.131109
N 2.951530 -0.391840 -1.378369
C 0.055249 -1.101206 0.567394
C -0.423834 0.027977 -0.384572
C 1.482763 -1.597302 0.170431
C -0.932323 -2.297596 0.651313
C -1.857630 0.478859 -0.177894
C 2.510789 -0.509558 -0.082814
C -1.257967 -2.999111 -0.686217
C -2.235508 1.274448 0.937048
C 2.995520 0.336072 0.950764
C -3.578750 1.685745 1.070434
C 3.958523 1.321362 0.644109
C -4.064093 0.498640 -0.988049
C 3.882671 0.566423 -1.658939
C -4.517850 1.294030 0.087280
C 4.417894 1.442146 -0.688200
H -0.312115 -0.316319 -1.426414
H 0.259481 0.884928 -0.241099
H 1.832477 -2.271531 0.978673
H 1.412759 -2.192182 -0.756025
H -0.510351 -3.040508 1.364121
H -1.871029 -1.919810 1.101409
H -1.954302 -3.839660 -0.511721
H -1.742981 -2.296823 -1.386215
H -0.354553 -3.413378 -1.169067
H 0.148123 -1.188007 2.596891
H -1.477156 1.541477 1.677614
H 2.597018 0.224223 1.962622
H -3.888212 2.301453 1.922281
H 4.342806 1.983174 1.428099
H -4.755148 0.168835 -1.773072
H 4.204514 0.624063 -2.705603
H -5.568786 1.594672 0.148518
H 5.165834 2.190432 -0.969464


