%chk=000200296.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200296

0 1
O -2.778668 -0.315036 -0.480480
O -1.975374 -2.385047 0.073067
N 3.348421 -0.705806 -0.848850
C 2.004870 0.304659 0.982439
C 2.082977 -1.231710 1.208280
C 3.093721 0.571668 -0.111828
C 3.059380 -1.787465 0.150892
C 0.651588 0.797291 0.473701
C 2.337643 1.047913 2.284101
C 2.483034 -0.825743 -2.059715
C -0.421334 -0.077368 0.251273
C 0.475749 2.168907 0.213887
C -1.627864 0.439294 -0.217388
C -0.745219 2.661404 -0.256733
C -1.821598 1.803208 -0.481688
C -2.879032 -1.692862 -0.313783
C -4.265199 -2.072873 -0.700718
H 1.091614 -1.716882 1.121447
H 2.433053 -1.468571 2.225972
H 2.821649 1.393850 -0.795825
H 4.055101 0.859877 0.364510
H 4.032349 -2.056171 0.614885
H 2.670421 -2.703365 -0.329096
H 2.422678 2.129214 2.130956
H 1.560371 0.886789 3.040691
H 3.288086 0.704630 2.708919
H 2.741884 -0.020065 -2.764289
H 1.401550 -0.778112 -1.859769
H 2.703847 -1.779809 -2.562992
H -0.308507 -1.151913 0.446428
H 1.297709 2.862452 0.381889
H -0.859492 3.728154 -0.450640
H -2.779267 2.162433 -0.846509
H -4.868667 -1.207672 -1.023385
H -4.788558 -2.548844 0.144470
H -4.253016 -2.800131 -1.528719


%chk=000200296-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200296

0 1
O -3.098792 -0.210632 -0.251757
O -2.371658 -2.376041 0.336396
N 3.819499 -0.487150 -0.682731
C 1.888736 0.200457 0.766022
C 2.019949 -1.357840 0.674172
C 3.132909 0.703956 -0.107872
C 3.510834 -1.574478 0.290802
C 0.540283 0.757725 0.279272
C 2.086916 0.657390 2.244602
C 3.401460 -0.802709 -2.071265
C -0.619059 -0.061535 0.236858
C 0.416337 2.131900 -0.059221
C -1.853811 0.498477 -0.163084
C -0.825891 2.674289 -0.454641
C -1.974454 1.859541 -0.514357
C -3.277950 -1.585312 -0.002187
C -4.732915 -1.951869 -0.205740
H 1.379253 -1.763043 -0.129562
H 1.738914 -1.858488 1.617593
H 2.830819 1.390678 -0.916405
H 3.840104 1.240545 0.554598
H 4.162083 -1.452172 1.178709
H 3.716201 -2.565420 -0.148138
H 2.135233 1.759765 2.317447
H 1.252467 0.311108 2.880993
H 3.030335 0.247810 2.652468
H 3.691415 0.030174 -2.735661
H 2.306166 -0.979643 -2.201332
H 3.938870 -1.705529 -2.412090
H -0.571081 -1.114730 0.511201
H 1.293875 2.786802 -0.011686
H -0.901688 3.734917 -0.717661
H -2.949147 2.251356 -0.818705
H -5.329640 -1.081073 -0.510356
H -5.136418 -2.371269 0.732463
H -4.804251 -2.741663 -0.973742


