%chk=000250478.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250478

0 1
O -2.211067 -0.496616 0.683782
O -1.387876 0.093255 -1.340018
N 0.437420 2.887453 0.677711
C 1.205200 -0.518246 0.242804
C 1.691669 -0.093610 -1.153681
C 2.345621 -0.404023 1.272326
C 2.885815 -0.951748 -1.589339
C 3.544882 -1.259571 0.839326
C 4.027946 -0.875924 -0.566360
C -0.023632 0.318154 0.712959
C -1.243713 -0.009554 -0.147112
C 0.227975 1.751685 0.681475
C -3.524028 -0.878801 0.098136
C -4.108418 -1.774933 1.174936
C -4.308807 0.395118 -0.151355
H 0.875044 -1.586988 0.195851
H 1.980211 0.975652 -1.153998
H 0.866060 -0.179487 -1.890440
H 2.000232 -0.721211 2.273069
H 2.661362 0.653084 1.374935
H 3.244084 -0.614032 -2.580440
H 2.567868 -2.003341 -1.723562
H 3.271196 -2.331913 0.862257
H 4.369864 -1.139163 1.566723
H 4.856587 -1.539844 -0.874901
H 4.446394 0.149309 -0.550632
H -0.260664 0.025480 1.781672
H -3.307764 -1.427097 -0.845600
H -5.103942 -2.137401 0.893204
H -3.469072 -2.647746 1.360667
H -4.204941 -1.244618 2.132495
H -5.338650 0.181124 -0.459881
H -3.845740 0.997284 -0.947620
H -4.356914 1.027268 0.744709


%chk=000250478-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250478

0 1
O -1.978062 -0.335275 0.571310
O -1.652685 1.206897 -1.157212
N 1.044385 3.332328 0.121715
C 1.087812 -0.225306 0.352384
C 1.516350 -0.267255 -1.134496
C 2.320834 -0.099052 1.281433
C 2.525263 -1.413529 -1.388583
C 3.327623 -1.246781 1.026970
C 3.756206 -1.300829 -0.458555
C 0.042737 0.919337 0.652037
C -1.274794 0.661876 -0.099374
C 0.580420 2.257228 0.345149
C -3.292281 -0.780629 -0.038239
C -3.489824 -2.219719 0.440815
C -4.392564 0.189962 0.410791
H 0.562269 -1.171524 0.598964
H 1.984362 0.701038 -1.404478
H 0.632694 -0.385545 -1.790332
H 1.999329 -0.102779 2.342322
H 2.820524 0.873637 1.096807
H 2.842164 -1.401661 -2.448898
H 2.024881 -2.389268 -1.215064
H 2.860884 -2.213705 1.308433
H 4.212996 -1.117026 1.678411
H 4.442038 -2.153312 -0.626786
H 4.320531 -0.379126 -0.709211
H -0.184514 0.875958 1.735397
H -3.166220 -0.730641 -1.135962
H -4.426143 -2.628416 0.019979
H -2.653704 -2.863115 0.117696
H -3.557425 -2.259630 1.542120
H -5.365278 -0.130240 -0.005217
H -4.186852 1.212035 0.051727
H -4.473752 0.203066 1.512045


