%chk=000231476.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231476

0 1
O 2.870895 1.034611 0.299839
N -3.262087 -0.672512 0.161013
C 1.952213 -1.604776 -0.049307
C 1.017018 -0.393553 -0.114082
C 1.202132 -2.932958 -0.275792
C 2.608684 -1.648861 1.344806
C 3.026772 -1.460599 -1.145149
C -0.352827 -0.524114 -0.352321
C 1.510741 0.920435 0.067307
C -1.204157 0.591723 -0.407557
C 0.681658 2.059022 0.019708
C -2.673884 0.407371 -0.703338
C -0.686513 1.876097 -0.218281
C 1.239497 3.431580 0.218326
C -4.662745 -0.962539 -0.271693
C -3.237705 -0.277922 1.600730
H 1.889583 -3.783000 -0.213931
H 0.422938 -3.092313 0.477381
H 0.731111 -2.969782 -1.263368
H 1.856841 -1.713614 2.136600
H 3.278075 -2.507382 1.443728
H 3.204827 -0.744311 1.528372
H 3.709655 -2.314145 -1.149130
H 2.574934 -1.384539 -2.138316
H 3.631235 -0.556570 -0.987757
H -0.802417 -1.511891 -0.489705
H -3.217309 1.373568 -0.615254
H -2.779753 0.083603 -1.766088
H -1.343594 2.742524 -0.255118
H 1.703610 3.540704 1.208635
H 1.986898 3.679372 -0.548591
H 0.461132 4.205117 0.153679
H 3.146981 1.974381 0.412447
H -5.357881 -0.113693 -0.202037
H -5.061253 -1.784781 0.344530
H -4.650810 -1.320047 -1.313560
H -3.607667 -1.119093 2.207327
H -3.826656 0.616425 1.847599
H -2.191774 -0.095442 1.902545


%chk=000231476-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231476

0 1
O 2.953276 1.128351 0.237994
N -3.301845 -0.653477 0.128776
C 1.942708 -1.598506 -0.020514
C 1.034427 -0.345907 -0.086084
C 1.131479 -2.911411 -0.184324
C 2.665621 -1.657619 1.360152
C 2.997803 -1.546733 -1.167828
C -0.363556 -0.451864 -0.282119
C 1.556465 0.976864 0.045253
C -1.221635 0.672807 -0.339711
C 0.728849 2.132012 -0.004084
C -2.713361 0.492491 -0.604352
C -0.661714 1.958913 -0.194026
C 1.333234 3.518487 0.152987
C -4.628281 -1.034557 -0.391071
C -3.309797 -0.456560 1.591587
H 1.823637 -3.771375 -0.122765
H 0.373952 -3.032404 0.612032
H 0.619729 -2.962396 -1.163152
H 1.929359 -1.731131 2.182461
H 3.318518 -2.550302 1.402793
H 3.285802 -0.762178 1.523436
H 3.648031 -2.441202 -1.120092
H 2.498955 -1.536803 -2.155034
H 3.631021 -0.649144 -1.086189
H -0.832277 -1.435033 -0.376746
H -3.244476 1.454170 -0.376073
H -2.874025 0.296940 -1.684597
H -1.309754 2.844490 -0.225801
H 1.835575 3.653299 1.133355
H 2.071589 3.751347 -0.642265
H 0.548562 4.290399 0.090896
H 3.184933 2.087317 0.310326
H -5.408058 -0.241629 -0.253564
H -4.980739 -1.945926 0.124860
H -4.556995 -1.258214 -1.471021
H -3.660280 -1.379180 2.088347
H -3.971957 0.386734 1.916745
H -2.286378 -0.242973 1.943609


