%chk=000250408.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250408

0 1
O 2.690527 -0.719217 -0.880136
O -0.698838 1.984791 0.452387
O 2.929626 1.138027 0.404720
O 0.102729 1.570041 -1.622780
O 2.168984 -1.411690 2.142963
O -0.715145 -3.237736 1.628424
O -1.978217 -1.924732 2.790126
N 0.475951 0.049371 1.677546
N -1.557544 -2.366395 1.729785
C 0.715402 0.061726 0.225119
C 0.185445 -1.234177 -0.434615
C -1.310199 -1.285307 -0.531743
C 2.246056 0.247699 -0.032398
C 0.036317 1.279632 -0.454108
C -2.132007 -1.799021 0.486973
C -1.937097 -0.784098 -1.687936
C 1.246618 -0.743007 2.564190
C -3.532829 -1.798421 0.374238
C -3.324831 -0.801002 -1.817238
C -4.127267 -1.305220 -0.784378
C 4.128333 -0.748842 -1.190255
C -1.355288 3.221989 0.002012
C 0.782782 -0.687106 3.984315
C 4.459977 0.336796 -2.189081
C -0.329009 4.325649 -0.106751
H 0.644148 -1.343028 -1.448487
H 0.598097 -2.114238 0.125518
H -0.237463 0.693639 2.028989
H -1.320994 -0.365791 -2.490909
H -4.146036 -2.181962 1.194211
H -3.789704 -0.415853 -2.726894
H -5.212360 -1.310081 -0.886331
H 4.686783 -0.652731 -0.241728
H 4.218588 -1.772074 -1.599093
H -1.870165 3.013100 -0.951992
H -2.080386 3.370005 0.823576
H 0.767108 0.329216 4.397175
H 1.450023 -1.290404 4.623207
H -0.231875 -1.115298 4.097449
H 3.783946 0.313807 -3.053947
H 4.368328 1.336513 -1.736115
H 5.485984 0.238102 -2.562903
H 0.292330 4.393675 0.797719
H 0.358316 4.157071 -0.950427
H -0.802044 5.303382 -0.259196


%chk=000250408-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250408

0 1
O 2.757710 -0.726319 -0.936122
O -0.656306 1.969273 0.438947
O 2.925456 1.023404 0.596490
O 0.215049 1.467194 -1.663776
O 2.129654 -1.554356 2.068924
O -0.694651 -3.132229 1.756092
O -2.288546 -1.980145 2.905140
N 0.439764 -0.032438 1.671193
N -1.687818 -2.311384 1.805927
C 0.715641 -0.034749 0.229812
C 0.161108 -1.332269 -0.470858
C -1.357435 -1.366455 -0.530087
C 2.264752 0.132740 0.019947
C 0.087067 1.205514 -0.448670
C -2.215576 -1.747111 0.539768
C -2.004290 -0.910459 -1.710774
C 1.199036 -0.821569 2.526077
C -3.624955 -1.656153 0.463393
C -3.409286 -0.841798 -1.821355
C -4.227054 -1.208432 -0.726976
C 4.227642 -0.626558 -1.216142
C -1.280549 3.223788 -0.103424
C 0.810900 -0.777397 3.992732
C 4.506672 0.460472 -2.256513
C -0.280949 4.379970 -0.047837
H 0.564094 -1.346997 -1.494855
H 0.581890 -2.189065 0.076511
H -0.203407 0.677544 2.027708
H -1.377894 -0.595512 -2.552069
H -4.223127 -1.948814 1.330854
H -3.863470 -0.498314 -2.756840
H -5.317716 -1.154652 -0.801761
H 4.744074 -0.424102 -0.262214
H 4.483345 -1.633590 -1.581274
H -1.614651 3.018296 -1.135102
H -2.147556 3.382041 0.556829
H 0.316066 0.167049 4.277874
H 1.712348 -0.922102 4.607926
H 0.112555 -1.608594 4.202962
H 3.934463 0.278555 -3.182313
H 4.242641 1.455864 -1.863035
H 5.583555 0.461832 -2.508488
H 0.093197 4.531609 0.978732
H 0.576876 4.191878 -0.714366
H -0.777220 5.311341 -0.377781


