%chk=000236973.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236973

0 1
O 1.910476 -0.074024 1.151532
O 2.314458 1.196979 -0.675453
O -6.212609 -0.492399 -0.895265
O -4.829958 -1.282478 0.758070
N 5.455413 -0.598888 0.474087
N -4.056665 0.080190 -1.008836
C 4.082720 -1.114101 0.770328
C 6.469801 -1.691483 0.434809
C 5.462888 0.254101 -0.761083
C 3.322905 -0.014204 1.525371
C 6.262281 -2.772884 -0.629568
C 6.676801 1.183463 -0.741403
C 1.519006 0.585531 0.006272
C 0.069139 0.425737 -0.217302
C -0.505666 1.056829 -1.335477
C -0.734945 -0.330726 0.651698
C -2.667861 0.171514 -0.707502
C -1.867556 0.935567 -1.587869
C -2.099664 -0.462253 0.413026
C -4.998953 -0.639338 -0.252140
C -7.377454 -1.110634 -0.248202
C -7.799659 -0.292308 0.950766
H 4.146709 -2.027018 1.399491
H 3.511411 -1.409020 -0.137403
H 6.496664 -2.155790 1.445873
H 7.463693 -1.209647 0.290948
H 4.527667 0.868142 -0.776066
H 5.454234 -0.346268 -1.695806
H 3.713369 1.000504 1.321169
H 3.268109 -0.190926 2.612465
H 7.080664 -3.500541 -0.613934
H 6.226533 -2.343931 -1.638034
H 5.329977 -3.325938 -0.477067
H 6.595255 1.944115 -1.525015
H 7.614435 0.639560 -0.895428
H 6.757164 1.703434 0.222455
H 0.131093 1.644941 -2.005026
H -0.278981 -0.817175 1.520739
H -2.302140 1.427518 -2.454978
H -2.722180 -1.054078 1.094061
H -4.399377 0.568981 -1.843830
H -7.118912 -2.152871 0.011099
H -8.100754 -1.075645 -1.084699
H -7.056344 -0.355993 1.761286
H -7.913359 0.770426 0.699514
H -8.756225 -0.641875 1.358726


%chk=000236973-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236973

0 1
O 1.892316 0.110477 0.844885
O 2.029284 1.481930 -1.043048
O -6.482957 -0.557213 -0.729290
O -4.984578 -1.412894 0.880049
N 5.573380 -0.624840 0.361995
N -4.314158 0.038384 -0.876756
C 4.115336 -0.847658 0.238048
C 6.371792 -1.847903 0.617376
C 6.111540 0.296418 -0.671832
C 3.366407 0.245870 1.027952
C 6.469851 -2.860901 -0.557194
C 7.461793 0.925581 -0.281374
C 1.342491 0.775115 -0.259137
C -0.122642 0.551227 -0.372339
C -0.821962 1.190724 -1.429618
C -0.841425 -0.274501 0.530298
C -2.920615 0.178702 -0.668612
C -2.204816 1.008749 -1.577519
C -2.227981 -0.466641 0.392842
C -5.218327 -0.710496 -0.133766
C -7.608142 -1.255687 -0.041598
C -8.179865 -0.393468 1.086739
H 3.853786 -1.836618 0.656878
H 3.765240 -0.835216 -0.818965
H 5.929961 -2.353376 1.497455
H 7.390037 -1.539667 0.919408
H 5.368382 1.103457 -0.810321
H 6.207945 -0.205903 -1.666407
H 3.679587 1.250782 0.696919
H 3.527471 0.131633 2.110428
H 7.048484 -3.750999 -0.246712
H 6.975954 -2.420545 -1.435470
H 5.467438 -3.202011 -0.875906
H 7.763395 1.676064 -1.035133
H 8.269762 0.174028 -0.220101
H 7.380252 1.424635 0.700399
H -0.260222 1.825697 -2.122170
H -0.300334 -0.765239 1.343822
H -2.737356 1.507326 -2.396953
H -2.779538 -1.102662 1.087586
H -4.725201 0.537618 -1.669137
H -7.237104 -2.222841 0.340696
H -8.339131 -1.422135 -0.848902
H -7.433026 -0.249422 1.885478
H -8.496767 0.593597 0.708088
H -9.062136 -0.894080 1.527319


