%chk=000239186.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239186

0 1
O 3.264376 0.076312 0.059658
O -0.138605 -2.922321 0.326850
O 1.615022 1.665022 -0.070672
O -4.420546 1.666680 -0.067322
O -2.592252 2.818547 -0.137765
N 1.146651 -0.628859 0.152436
N -3.201530 1.766305 -0.063478
C 4.316353 1.132407 -0.004592
C -0.275829 -0.591496 0.138559
C -0.978656 -1.841554 0.236014
C -1.016299 0.584727 0.040166
C 4.398471 1.797371 1.355226
C 5.540421 0.320156 -0.384663
C -2.423326 0.515395 0.039793
C -2.372444 -1.891595 0.233909
C -3.102013 -0.702919 0.134782
C 1.959682 0.506997 0.036735
C -0.732325 -4.242807 0.428942
H 4.006054 1.844532 -0.801633
H -0.516223 1.568822 -0.038115
H 4.511276 1.064433 2.163888
H 3.486194 2.377205 1.567174
H 5.245885 2.490198 1.415130
H 5.764708 -0.450060 0.365930
H 5.392451 -0.202799 -1.339139
H 6.425540 0.959754 -0.482279
H 1.594594 -1.549819 0.233051
H -2.902215 -2.838702 0.307731
H -4.198030 -0.721595 0.131187
H -1.318992 -4.464337 -0.467621
H -1.327683 -4.320316 1.343593
H 0.161390 -4.879986 0.483823


%chk=000239186-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239186

0 1
O 3.258532 0.046285 0.111942
O -0.106298 -2.882311 0.375614
O 1.623065 1.737164 -0.076668
O -4.611033 1.614732 -0.171206
O -2.711508 2.873104 -0.276454
N 1.085712 -0.557516 0.151825
N -3.322327 1.740830 -0.164865
C 4.348539 1.087895 0.063249
C -0.322466 -0.529344 0.124882
C -0.981509 -1.798222 0.248132
C -1.098901 0.639050 -0.012029
C 4.543655 1.670797 1.469508
C 5.574635 0.358356 -0.488661
C -2.506841 0.515376 -0.021496
C -2.388433 -1.890242 0.235340
C -3.166682 -0.723977 0.099594
C 1.945442 0.529553 0.052493
C -0.678012 -4.228465 0.502722
H 4.003340 1.878253 -0.629003
H -0.623230 1.616675 -0.109044
H 4.814301 0.875147 2.186126
H 3.624440 2.172258 1.815703
H 5.357857 2.418357 1.456064
H 5.883789 -0.456955 0.188923
H 5.361799 -0.072707 -1.481646
H 6.417217 1.066058 -0.588278
H 1.517563 -1.480423 0.253543
H -2.883230 -2.860252 0.330293
H -4.258237 -0.758118 0.086174
H -1.275738 -4.487481 -0.390779
H -1.300876 -4.306993 1.412985
H 0.187535 -4.901186 0.582314


