%chk=000237722.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237722

0 1
O -1.042873 0.416886 -0.156080
O 6.129265 -1.084792 -1.885837
O 5.159816 2.187657 1.202830
O -5.385659 2.060397 -0.329964
O -5.144226 0.131777 0.835019
N 3.682520 -0.096157 -0.338844
C 4.914016 -0.733614 0.210193
C 3.818935 1.367281 -0.551876
C 2.418276 -0.619300 0.020334
C 1.249635 0.144770 -0.173407
C 5.466838 -1.749583 -0.803472
C 3.791076 2.192765 0.744446
C 2.298633 -1.955537 0.489731
C 0.004170 -0.447021 0.084349
C 1.043008 -2.499042 0.736438
C -0.131305 -1.762465 0.542657
C -2.401056 -0.075724 0.051680
C -3.247528 1.130131 -0.347704
C -4.659697 0.993125 0.139666
C -6.809480 2.128739 0.007775
C -7.591119 1.164740 -0.858629
H 4.725294 -1.225673 1.188873
H 5.688327 0.049874 0.414456
H 3.016155 1.710837 -1.243735
H 4.791978 1.552976 -1.072123
H 1.274973 1.167427 -0.533887
H 4.677385 -2.405834 -1.213131
H 6.274677 -2.361334 -0.359038
H 3.143194 1.747116 1.519994
H 3.485780 3.237135 0.556062
H 3.180066 -2.566430 0.650034
H 0.967300 -3.528392 1.093030
H -1.094056 -2.210472 0.746111
H -2.571361 -0.951315 -0.597615
H -2.526854 -0.348629 1.115805
H -3.226248 1.284849 -1.450007
H -2.788795 2.064344 0.058732
H 5.483922 -0.537742 -2.381991
H 5.232105 2.652233 2.057994
H -7.021082 3.190465 -0.216508
H -6.923537 1.921658 1.086662
H -7.355011 1.293771 -1.922756
H -7.362468 0.119864 -0.598604
H -8.672287 1.302941 -0.737664


%chk=000237722-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000237722

0 1
O -0.983617 0.557834 -0.067889
O 5.652118 -1.232084 -2.205743
O 5.151917 2.133258 1.366614
O -5.528161 2.032490 -0.136610
O -5.168252 -0.175201 0.535815
N 3.814703 -0.079625 -0.201555
C 5.038292 -0.826343 0.172114
C 3.986568 1.332989 -0.586937
C 2.533903 -0.590871 0.095433
C 1.359155 0.191921 -0.103967
C 5.443936 -1.866002 -0.896051
C 3.917268 2.327591 0.584974
C 2.365578 -1.923084 0.598893
C 0.080132 -0.335162 0.178684
C 1.081225 -2.421014 0.878195
C -0.086359 -1.649653 0.675990
C -2.344443 0.087697 0.227810
C -3.264385 1.259072 -0.122671
C -4.723059 0.926173 0.133481
C -7.003703 1.849782 0.047208
C -7.637780 1.255143 -1.213055
H 4.915948 -1.317244 1.158232
H 5.850289 -0.090892 0.286815
H 3.231367 1.614782 -1.344748
H 4.975795 1.444518 -1.065065
H 1.397066 1.219145 -0.473628
H 4.689254 -2.675282 -0.975934
H 6.417650 -2.313279 -0.632966
H 3.016759 2.132960 1.200953
H 3.867667 3.363494 0.184337
H 3.228701 -2.570092 0.769246
H 0.982936 -3.443273 1.261528
H -1.070560 -2.067207 0.900743
H -2.587550 -0.804683 -0.380953
H -2.436258 -0.184156 1.297525
H -3.138972 1.537916 -1.185229
H -2.987298 2.154506 0.462706
H 4.791786 -0.811464 -2.465982
H 5.087550 2.621632 2.224206
H -7.364748 2.870116 0.251986
H -7.169539 1.201117 0.925317
H -7.414875 1.876668 -2.097409
H -7.269336 0.231110 -1.391180
H -8.735962 1.209401 -1.091233


