%chk=000222019.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222019

0 1
O -0.182050 2.158752 0.839566
O -0.342472 0.838035 -2.455763
N -0.189843 -0.582614 -0.697234
C -1.315164 -1.393401 -1.236026
C 0.299264 -0.957591 0.650683
C 0.187973 0.574928 -1.383696
C -2.626820 -0.992987 -0.600594
C 1.313320 -2.075873 0.555259
C 1.281829 1.419476 -0.813920
C 1.058320 2.292200 0.276267
C -3.285622 -1.857725 0.282762
C 0.922490 -3.402442 0.786139
C -3.185528 0.259925 -0.899047
C 2.649126 -1.788867 0.239624
C 2.530099 1.437531 -1.442331
C 2.059549 3.163826 0.729535
C -4.499066 -1.471535 0.862221
C 1.863298 -4.433192 0.702807
C -4.394692 0.641646 -0.315699
C 3.585626 -2.822422 0.156765
C 3.541487 2.291059 -0.988601
C -5.053953 -0.223600 0.565640
C 3.195017 -4.145597 0.388282
C 3.299634 3.151877 0.086119
C -0.617361 3.131272 1.848732
C -2.014555 2.649814 2.182009
H -1.368419 -1.237224 -2.345483
H -1.088464 -2.471254 -1.080600
H -0.568113 -1.257191 1.286434
H 0.740367 -0.071656 1.164936
H -2.861408 -2.831309 0.517081
H -0.111816 -3.633755 1.031750
H -2.663421 0.930044 -1.589651
H 2.955124 -0.759181 0.055797
H 2.708086 0.783295 -2.299570
H 1.885915 3.838735 1.560149
H -5.011948 -2.146726 1.544390
H 1.557176 -5.462309 0.882567
H -4.828706 1.611443 -0.552750
H 4.621871 -2.596756 -0.089409
H 4.510055 2.293297 -1.482845
H 4.086918 3.824768 0.429038
H -5.998721 0.073745 1.015204
H 3.925744 -4.949023 0.323001
H -0.603670 4.132264 1.384594
H 0.076300 3.084256 2.703904
H -2.005241 1.800771 2.876697
H -2.530090 2.293728 1.271586
H -2.624744 3.446843 2.620182


%chk=000222019-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000222019

0 1
O -0.167914 2.436654 0.723885
O 0.069733 1.022593 -2.731245
N -0.002880 -0.299226 -0.812575
C -1.023814 -1.177903 -1.426633
C 0.468588 -0.667217 0.539894
C 0.448841 0.800768 -1.534656
C -2.350523 -1.175723 -0.671727
C 1.125700 -2.046530 0.585765
C 1.458154 1.729455 -0.890313
C 1.127922 2.586133 0.199024
C -3.066432 -2.382383 -0.476060
C 0.639281 -3.047095 1.461574
C -2.904220 0.037709 -0.189178
C 2.246203 -2.338826 -0.233984
C 2.728202 1.862040 -1.497148
C 2.072383 3.523109 0.686801
C -4.321142 -2.378716 0.176012
C 1.263928 -4.314534 1.527245
C -4.154930 0.042449 0.466403
C 2.870649 -3.603242 -0.173406
C 3.679679 2.786778 -1.012658
C -4.870359 -1.165005 0.649097
C 2.382045 -4.595845 0.710073
C 3.346081 3.613180 0.082232
C -0.589772 3.363515 1.796290
C -2.049250 3.049326 2.113084
H -1.164060 -0.799801 -2.456523
H -0.627489 -2.208623 -1.491525
H -0.387368 -0.636544 1.240196
H 1.188243 0.100609 0.866895
H -2.640383 -3.327821 -0.835314
H -0.234854 -2.835089 2.090018
H -2.344558 0.970620 -0.323452
H 2.625329 -1.571884 -0.920663
H 2.955461 1.238899 -2.368902
H 1.827938 4.182241 1.524487
H -4.865696 -3.319338 0.317634
H 0.876849 -5.079500 2.209888
H -4.575702 0.986907 0.831595
H 3.736881 -3.816201 -0.810124
H 4.661206 2.867488 -1.490220
H 4.071614 4.339006 0.466106
H -5.842251 -1.160150 1.155529
H 2.867133 -5.577286 0.757997
H -0.471455 4.408015 1.443023
H 0.056431 3.213400 2.685503
H -2.166261 1.999138 2.430336
H -2.685246 3.219178 1.227365
H -2.405211 3.704570 2.928855


