%chk=000253038.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253038

0 1
O -3.561225 2.085706 0.495445
O 4.556675 -1.155445 -1.034487
O 4.694418 1.688048 -0.296341
N -1.929282 -2.715471 0.015768
N -0.011345 1.486615 0.791825
C -0.296962 -0.884694 0.285638
C -1.074216 0.469129 0.434920
C -0.924524 -1.882930 -0.741158
C -1.784472 0.954242 -0.846774
C -2.611951 -0.186549 -1.459935
C -1.575335 -1.217425 -1.959136
C -0.363326 -1.680975 1.615263
C 1.114035 -0.417861 0.015644
C -1.551875 -2.646017 1.470196
C -2.530440 2.263039 -0.504351
C -3.552220 -0.823895 -0.458185
C -3.346500 -2.307195 -0.236970
C 1.239348 0.978065 0.328305
C -0.382259 2.858582 0.648202
C -1.570044 3.234652 0.137515
C 2.216800 -1.129921 -0.403911
C -4.497482 -0.142117 0.199733
C 2.448019 1.646203 0.212353
C -4.719017 1.335290 0.073398
C 3.457480 -0.468259 -0.520183
C 3.575708 0.902499 -0.213987
C 5.046687 -2.212170 -0.167211
C 5.925834 1.092672 -0.782033
H -1.814589 0.430234 1.274349
H -0.131434 -2.597849 -1.078412
H -1.006484 1.235726 -1.609112
H -3.211295 0.198396 -2.319104
H -2.050683 -1.979035 -2.605083
H -0.805106 -0.732646 -2.587304
H -0.471189 -1.014199 2.486738
H 0.578028 -2.235187 1.777474
H -1.272080 -3.677681 1.771362
H -2.396842 -2.338282 2.115546
H -2.999311 2.697772 -1.414898
H -3.988541 -2.691682 0.584386
H -3.671458 -2.860538 -1.151771
H 0.354254 3.565445 1.042139
H -1.911151 4.264483 0.181447
H 2.152780 -2.187525 -0.655632
H -5.158316 -0.636857 0.910742
H 2.564354 2.701936 0.438145
H -5.015108 1.625636 -0.950757
H -5.479482 1.701209 0.792603
H 5.926725 -2.569601 -0.712973
H 4.297062 -3.001923 -0.073762
H 5.317452 -1.807956 0.811216
H 5.760039 0.604777 -1.750047
H 6.302758 0.377710 -0.046528
H 6.576585 1.969618 -0.871609


%chk=000253038-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253038

0 1
O -3.642686 2.015900 0.661919
O 4.642697 -1.564284 -0.749272
O 4.957908 1.250391 -0.057317
N -2.088909 -2.655708 -0.049991
N 0.071388 1.339551 0.786899
C -0.309092 -1.004677 0.287669
C -1.029706 0.377294 0.472923
C -0.989307 -1.922359 -0.787606
C -1.788510 0.958268 -0.744724
C -2.602188 -0.124135 -1.502241
C -1.560572 -1.161477 -2.002374
C -0.478363 -1.887338 1.566554
C 1.142418 -0.592429 0.067803
C -1.904148 -2.458985 1.422465
C -2.501802 2.252846 -0.260521
C -3.674479 -0.837315 -0.660944
C -3.469470 -2.343649 -0.536090
C 1.315820 0.775746 0.424299
C -0.273285 2.695030 0.849216
C -1.508214 3.145416 0.455062
C 2.254327 -1.361530 -0.307024
C -4.659426 -0.171642 0.002217
C 2.581063 1.394847 0.367373
C -4.794917 1.339048 0.013698
C 3.538750 -0.766128 -0.347154
C 3.692029 0.616153 -0.032222
C 5.629450 -1.809380 0.327751
C 5.603051 1.291716 -1.390728
H -1.732137 0.357181 1.328004
H -0.232990 -2.655030 -1.135715
H -1.025431 1.313117 -1.471870
H -3.091718 0.361077 -2.373977
H -2.011126 -1.879976 -2.711162
H -0.737957 -0.653803 -2.539951
H -0.338407 -1.306644 2.494425
H 0.274857 -2.696602 1.550305
H -2.027456 -3.412578 1.968665
H -2.650012 -1.738016 1.828230
H -2.899287 2.788163 -1.155652
H -4.190568 -2.785337 0.174344
H -3.627294 -2.850250 -1.507814
H 0.489651 3.371910 1.249295
H -1.788542 4.186965 0.633154
H 2.168109 -2.422477 -0.565073
H -5.378233 -0.744314 0.604905
H 2.741060 2.451993 0.596529
H -4.918754 1.741429 -1.018153
H -5.669529 1.645857 0.611154
H 6.426851 -2.412981 -0.132989
H 5.159583 -2.374902 1.155335
H 6.038188 -0.856507 0.711121
H 4.997961 1.906023 -2.084732
H 5.726390 0.273492 -1.800409
H 6.582462 1.766840 -1.226912


