%chk=000198029.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198029

0 1
O 1.254339 1.749679 0.070034
O -1.862725 -1.684177 1.008811
N 2.289753 -1.607468 -0.018967
N 2.517563 -0.216991 0.281921
N -1.082964 -0.163091 -0.503317
N -7.378983 1.318935 -0.342450
C 0.859526 -1.734994 -0.215242
C 0.274157 -0.490662 -0.255672
C 1.301456 0.544362 0.019636
C 3.841155 0.313929 0.068258
C 0.236311 -3.053750 -0.408025
C 2.883813 -2.508876 1.013024
C -2.106136 -0.740094 0.269577
C -1.296394 0.992539 -1.409461
C 4.115159 1.588239 0.603865
C 4.838697 -0.406046 -0.611505
C -3.479217 -0.185012 0.090155
C 5.396435 2.121287 0.468893
C 6.117124 0.144967 -0.727627
C 6.401997 1.402213 -0.187870
C -4.447826 -0.938003 -0.589123
C -3.821199 1.049417 0.663335
C -5.748218 -0.460284 -0.716272
C -5.116980 1.541078 0.551667
C -6.090232 0.788644 -0.147446
H 0.936900 -3.896129 -0.382598
H -0.305834 -3.097533 -1.367669
H -0.537561 -3.219335 0.379889
H 3.949252 -2.257758 1.162610
H 2.827548 -3.544909 0.640258
H 2.384496 -2.450701 1.994716
H -0.943264 1.933449 -0.942941
H -2.359518 1.102790 -1.674929
H -0.727927 0.845020 -2.344041
H 3.325246 2.156261 1.101875
H 4.619013 -1.373200 -1.060599
H 5.613081 3.107384 0.879522
H 6.894604 -0.410652 -1.250748
H -4.179475 -1.906125 -1.016193
H -3.065312 1.624398 1.203074
H 7.399524 1.824293 -0.282994
H -6.491943 -1.042251 -1.252908
H -5.375490 2.499600 0.992949
H -8.116198 0.676105 -0.587447
H -7.681552 2.051551 0.280975


%chk=000198029-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198029

0 1
O 1.131366 1.781217 0.088185
O -1.876452 -1.789863 0.768182
N 2.271944 -1.595255 -0.109919
N 2.480205 -0.207408 0.182355
N -1.066783 -0.181433 -0.718096
N -7.441935 1.365691 0.147353
C 0.907693 -1.743686 -0.441472
C 0.286323 -0.504148 -0.418713
C 1.255725 0.523248 -0.021782
C 3.797252 0.339630 0.200175
C 0.335516 -3.094514 -0.745026
C 2.916401 -2.555558 0.822785
C -2.103190 -0.770852 0.035463
C -1.257188 0.798423 -1.817470
C 4.032244 1.544733 0.911997
C 4.857866 -0.293682 -0.500061
C -3.473745 -0.167456 -0.029781
C 5.328280 2.101238 0.921588
C 6.152463 0.266259 -0.463737
C 6.396305 1.464484 0.246589
C -4.593837 -1.040010 0.014703
C -3.713547 1.232440 0.024754
C -5.905503 -0.542891 0.059619
C -5.020639 1.744352 0.093158
C -6.143272 0.864362 0.096736
H 1.062396 -3.730966 -1.280699
H -0.564075 -2.972787 -1.368773
H 0.003036 -3.603917 0.176935
H 4.000689 -2.371101 0.857314
H 2.742591 -3.573939 0.442693
H 2.497874 -2.467592 1.844004
H -0.876128 1.793434 -1.526478
H -2.322067 0.865707 -2.080938
H -0.694515 0.453144 -2.704151
H 3.202094 2.035321 1.424751
H 4.655317 -1.191370 -1.093480
H 5.504031 3.034932 1.467131
H 6.967164 -0.226820 -1.005967
H -4.413371 -2.120114 0.028171
H -2.868739 1.929256 0.055541
H 7.401387 1.899132 0.267948
H -6.754934 -1.236742 0.079172
H -5.179313 2.827828 0.155317
H -8.241264 0.739446 0.172153
H -7.613465 2.365921 0.190768


