%chk=000263887.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000263887

0 1
S 0.887275 1.129495 0.694119
O -2.588004 -2.336477 1.317870
O 0.397853 0.591704 1.951299
O 1.216189 2.538040 0.585349
N -0.314259 0.875666 -0.515725
C -2.368397 0.091962 0.869375
C -2.416161 -0.305700 -1.383741
C -1.316997 -0.171408 -0.269810
C -3.236123 -1.194246 0.732020
C -3.259245 -1.470824 -0.797885
C -3.201985 1.269891 0.308663
C -3.235930 1.003397 -1.221550
C 2.215236 0.165787 0.153554
C 3.129725 0.692490 -0.763663
C 2.374470 -1.136278 0.638775
C 4.202825 -0.088275 -1.204483
C 3.446429 -1.917861 0.198464
C 4.358349 -1.393210 -0.724496
H -1.942679 0.262928 1.868455
H -2.042583 -0.481937 -2.397894
H -0.776761 -1.135737 -0.105511
H -4.236906 -1.106902 1.189381
H -4.280391 -1.496829 -1.199740
H -2.806764 -2.456026 -1.011635
H -2.731147 2.236692 0.545604
H -4.211913 1.304314 0.743671
H -4.263868 0.889658 -1.595837
H -2.789444 1.831942 -1.790999
H -0.713624 1.723030 -0.943638
H -2.217072 -2.117067 2.194026
H 3.014090 1.717929 -1.130983
H 1.667635 -1.541908 1.371258
H 4.916310 0.320504 -1.918390
H 3.571865 -2.932016 0.575036
H 5.194599 -2.003128 -1.068840


%chk=000263887-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000263887

0 1
S 0.925176 1.335074 0.773785
O -2.357224 -2.464640 1.139751
O 0.461590 0.793919 2.247225
O 1.407602 2.875544 0.558014
N -0.397869 1.104185 -0.532947
C -2.360508 0.037384 0.845903
C -2.371312 -0.182733 -1.438523
C -1.300774 -0.040160 -0.303339
C -3.108490 -1.305914 0.617835
C -3.132272 -1.446232 -0.939859
C -3.301706 1.186303 0.371106
C -3.281472 1.059132 -1.199257
C 2.253803 0.148536 0.153757
C 3.017316 0.535787 -0.959362
C 2.447211 -1.045313 0.865686
C 4.032951 -0.347399 -1.391542
C 3.467945 -1.915658 0.415583
C 4.252913 -1.568008 -0.708391
H -1.950677 0.164174 1.859795
H -1.962135 -0.267515 -2.456514
H -0.684635 -0.952903 -0.219677
H -4.122162 -1.278432 1.067934
H -4.155993 -1.498759 -1.348219
H -2.603263 -2.377145 -1.208565
H -2.933347 2.171993 0.707860
H -4.318738 1.068699 0.786421
H -4.288257 0.901391 -1.623851
H -2.869439 1.965410 -1.680689
H -0.876045 2.026039 -0.555479
H -2.257893 -2.362492 2.120830
H 2.833339 1.492299 -1.458064
H 1.835075 -1.268452 1.745466
H 4.650561 -0.081299 -2.255572
H 3.648435 -2.857263 0.944317
H 5.042890 -2.245954 -1.049321


