%chk=000257098.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257098

0 1
O 3.398924 1.320297 -0.090499
O 0.765202 1.665815 -1.840170
O 3.292665 0.030598 -1.963761
N 1.687853 -1.210248 1.903481
C -3.149697 0.076541 -0.677986
C -3.701140 0.737923 0.445227
C -0.918780 0.419149 0.231288
C -1.761887 -0.077253 -0.775042
C -2.847541 1.223180 1.445166
C -1.462898 1.067235 1.346322
C -4.030177 -0.463225 -1.757563
C 0.547212 0.257663 0.108705
C -5.178048 0.917773 0.578714
C 1.264029 0.847319 -0.879236
C 2.752686 0.660567 -1.093542
C 4.858821 1.162104 0.007458
C 1.180538 -0.554452 1.096722
C 5.175742 -0.186929 0.610077
H -1.332188 -0.608538 -1.624504
H -3.265867 1.727156 2.316611
H -0.811294 1.444630 2.134002
H -3.464941 -0.939095 -2.569962
H -4.720845 -1.223715 -1.363081
H -4.643079 0.328681 -2.211350
H -5.592674 1.481902 -0.269119
H -5.695907 -0.052471 0.609567
H -5.458995 1.458567 1.492157
H 5.294883 1.305012 -0.996417
H 5.102103 2.012001 0.672386
H 6.226148 -0.254872 0.918314
H 4.558269 -0.390220 1.499145
H 4.987791 -1.006155 -0.099686
H -0.224307 1.816361 -1.725721


%chk=000257098-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257098

0 1
O 3.347710 0.421967 0.293871
O 0.685938 1.271276 -1.915423
O 3.398079 1.630185 -1.708401
N 1.507496 0.701526 2.911635
C -3.083521 0.022954 -0.596752
C -3.838685 0.764430 0.364250
C -0.974208 0.816212 0.445092
C -1.669800 0.059723 -0.542354
C -3.141883 1.495359 1.358820
C -1.734237 1.524097 1.410460
C -3.782032 -0.813405 -1.652827
C 0.522844 0.845668 0.478983
C -5.354993 0.755129 0.338950
C 1.267571 1.030564 -0.679518
C 2.766271 1.077115 -0.780561
C 4.842712 0.449856 0.375689
C 1.122399 0.760131 1.778709
C 5.445518 -0.705855 -0.426642
H -1.104581 -0.576966 -1.235167
H -3.715733 2.051581 2.109109
H -1.223026 2.092915 2.194373
H -3.057065 -1.336303 -2.298940
H -4.438531 -1.577221 -1.194077
H -4.427126 -0.191384 -2.302751
H -5.748869 1.156694 -0.614592
H -5.756670 -0.271479 0.439431
H -5.772337 1.362820 1.158977
H 5.194217 1.428665 0.004419
H 5.035466 0.355885 1.455825
H 6.541028 -0.726002 -0.277511
H 5.034070 -1.672946 -0.090572
H 5.246544 -0.584190 -1.504405
H -0.301966 1.374302 -1.820394


