%chk=000241334.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241334

0 1
S 0.200752 1.878209 -1.114960
O -0.744696 0.020236 1.858577
O -3.651002 0.705570 -1.675891
O -4.251893 2.120920 1.393834
O -3.755395 3.930515 0.169324
O 6.470074 -1.295868 -0.901099
O 5.475663 -2.648516 0.461438
N -2.239698 0.694685 0.194865
N 5.545626 -1.601968 -0.164639
C -2.071645 2.141403 0.397148
C -1.323068 2.786182 -0.769986
C -1.891408 -1.601537 0.390633
C -2.782410 -1.387279 -0.700336
C -1.498926 -0.275632 0.965847
C -3.006648 0.085812 -0.874882
C -3.422621 2.848345 0.584251
C -1.515572 -2.872688 0.766716
C -3.298810 -2.443500 -1.418468
C 1.199290 2.129792 0.389988
C -2.044592 -3.960106 0.029555
C -2.912794 -3.751086 -1.034741
C 2.329827 1.166544 0.245411
C 3.407038 1.461562 -0.609608
C 2.316549 -0.041050 0.967192
C 4.460085 0.559763 -0.747225
C 3.365357 -0.947030 0.838092
C 4.433939 -0.641880 -0.021296
H -1.497687 2.288046 1.366304
H -1.137013 3.861960 -0.581883
H -1.927640 2.749002 -1.708751
H -0.834644 -3.043482 1.601671
H -3.980705 -2.284939 -2.255682
H 0.595636 1.925500 1.301954
H 1.545036 3.179070 0.459317
H -1.757761 -4.975815 0.309737
H -3.309104 -4.602328 -1.592158
H 3.417782 2.395087 -1.174670
H 1.474493 -0.269365 1.630739
H -5.137377 2.564330 1.527918
H 5.303967 0.775358 -1.411984
H 3.368594 -1.890122 1.395145


%chk=000241334-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241334

0 1
S 0.271252 1.675654 -1.369937
O -0.712983 -0.317238 1.652032
O -4.044297 0.734931 -1.494703
O -4.187311 2.024894 1.433333
O -3.435267 3.980032 0.424635
O 7.142371 -0.799375 -0.485282
O 6.021837 -2.344480 0.763722
N -2.333511 0.532232 0.138579
N 6.089483 -1.216217 0.137297
C -2.031036 1.948633 0.319440
C -1.313611 2.578548 -0.901425
C -2.232034 -1.781626 0.318135
C -3.238811 -1.465432 -0.628873
C -1.634518 -0.505784 0.816662
C -3.313059 0.022587 -0.764700
C -3.276955 2.771313 0.689628
C -1.932519 -3.110453 0.651750
C -3.977457 -2.468100 -1.273310
C 1.379568 2.170852 0.118601
C -2.674968 -4.132667 0.004617
C -3.681265 -3.816552 -0.942831
C 2.609422 1.297208 0.126402
C 3.791000 1.702463 -0.549211
C 2.588877 0.046900 0.803185
C 4.937757 0.885426 -0.552279
C 3.726457 -0.781221 0.812387
C 4.886714 -0.348557 0.131942
H -1.360499 1.988448 1.203236
H -1.093010 3.637606 -0.695535
H -1.956165 2.523571 -1.795080
H -1.154052 -3.344941 1.384196
H -4.751211 -2.213535 -2.004107
H 0.785312 2.008374 1.032223
H 1.624544 3.239206 0.004551
H -2.468270 -5.182325 0.238312
H -4.236468 -4.627010 -1.426629
H 3.808967 2.662708 -1.076428
H 1.674427 -0.267786 1.318320
H -4.975236 2.589920 1.659027
H 5.857376 1.179245 -1.064678
H 3.735748 -1.743752 1.330192


